Carbestrol | |
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Molecular structure via molpic based on CDK |
Physical properties [] | |
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Molecular mass | 274.35 g/mol [1] |
Predicted LogP | 3.1 [1] |
Structural Identifiers [] | |
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Molecular formula | C17H22O3 [1] |
IUPAC name | 3-ethyl-4-(4-methoxyphenyl)-2-methylcyclohex-3-ene-1-carboxylic acid [1] |
SMILES | CCC1=C(CCC(C1C)C(=O)O)C2=CC=C(C=C2)OC [1] |
InChI | InChI=1S/C17H22O3/c1-4-14-11(2)15(17(18)19)9-10-16(14)12-5-7-13(20-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3,(H,18,19) [1] |
InChIKey | VJKVHUZOVAWKEB-UHFFFAOYSA-N [1] |
Carbestrol
Carbestrol (also known as 3-Ethyl-4-(4-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid, U 2911, 3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid, Mls002638713, 3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl-, 3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(p-methoxyphenyl)-2-methyl-, 6-Ethyl-4'-methoxy-5-methyl-2,3,4,5-tetrahydro-[1,1'-biphenyl]-4-carboxylic acid, ORF 2166, C85AI8SOCH or 2-Methyl-3-ethyl-4-p-methoxyphenyl-Δ(sup 3)-cyclohexene carboxylic acid)
Stereochemistry []
Carbestrol is a