(1S,2S,5S,6S)-6-[(4-methylphenyl)carbamoyl]-2,5-diphenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,2S,5S,6S)-6-[(4-methylphenyl)carbamoyl]-2,5-diphenyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,2S,5S,6S)-2,5-diphenyl-6-(p-tolylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,2S,5S,6S)-6-[(4-methylanilino)-oxomethyl]-2,5-diphenyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,2S,5S,6S)-6-[(4-methylphenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2S,5S,6S)-2,5-diphenyl-6-(p-tolylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C27H24NO3- MolecularWeight: 410.48436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2C(C=CC(C2C(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H]2[C@H](C=C[C@@H]([C@@H]2C(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO3/c1-18-12-14-21(15-13-18)28-26(29)24-22(19-8-4-2-5-9-19)16-17-23(25(24)27(30)31)20-10-6-3-7-11-20/h2-17,22-25H,1H3,(H,28,29)(H,30,31)/p-1/t22-,23-,24+,25+/m1/s1