[(2S)-butan-2-yl] (1R,6S)-6-[(4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: [(2S)-butan-2-yl] (1R,6S)-6-[(4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: [(1S)-1-methylpropyl] (1R,6S)-6-(p-tolylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(4-methylanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] (1R,6S)-6-[(4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(p-tolylcarbamoyl)cyclohex-3-ene-1-carboxylic acid [(1S)-1-methylpropyl] ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1CC=CCC1C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C19H25NO3/c1-4-14(3)23-19(22)17-8-6-5-7-16(17)18(21)20-15-11-9-13(2)10-12-15/h5-6,9-12,14,16-17H,4,7-8H2,1-3H3,(H,20,21)/t14-,16-,17+/m0/s1