(1S,6R)-6-[(4-butylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(4-butylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4-butylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(4-butylanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-butylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(4-butylphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C20H26NO3- MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CC(=C(CC2C(=O)[O-])C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=C(C[C@@H]2C(=O)[O-])C)C

InChI

InChI=1S/C20H27NO3/c1-4-5-6-15-7-9-16(10-8-15)21-19(22)17-11-13(2)14(3)12-18(17)20(23)24/h7-10,17-18H,4-6,11-12H2,1-3H3,(H,21,22)(H,23,24)/p-1/t17-,18+/m1/s1