(1S,6S)-6-[(4-butoxycarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[(4-butoxycarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[(4-butoxycarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[4-[butoxy(oxo)methyl]anilino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(4-butoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(4-butoxycarbonylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=C(CC2C(=O)O)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=C(C[C@@H]2C(=O)O)C)C

InChI

InChI=1S/C21H27NO5/c1-4-5-10-27-21(26)15-6-8-16(9-7-15)22-19(23)17-11-13(2)14(3)12-18(17)20(24)25/h6-9,17-18H,4-5,10-12H2,1-3H3,(H,22,23)(H,24,25)/t17-,18-/m0/s1