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

Systemtic Name: (1S,6S)-6-[(4-ethoxyphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(4-ethoxyphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(4-ethoxyanilino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(4-ethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-3,4-dimethyl-6-(p-phenetylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C18H22NO4- MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CC(=C(CC2C(=O)[O-])C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H]2CC(=C(C[C@@H]2C(=O)[O-])C)C

InChI

InChI=1S/C18H23NO4/c1-4-23-14-7-5-13(6-8-14)19-17(20)15-9-11(2)12(3)10-16(15)18(21)22/h5-8,15-16H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)/p-1/t15-,16-/m0/s1