(1S,2R,5R,6S)-2,5-diphenyl-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,2R,5R,6S)-2,5-diphenyl-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,2R,5R,6S)-2,5-diphenyl-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,5R,6S)-6-[anilino(oxo)methyl]-2,5-diphenyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,2R,5R,6S)-2,5-diphenyl-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,5R,6S)-2,5-diphenyl-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C26H22NO3- MolecularWeight: 396.45778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=CC(C(C2C(=O)NC3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C=C[C@H]([C@@H]([C@H]2C(=O)NC3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H23NO3/c28-25(27-20-14-8-3-9-15-20)23-21(18-10-4-1-5-11-18)16-17-22(24(23)26(29)30)19-12-6-2-7-13-19/h1-17,21-24H,(H,27,28)(H,29,30)/p-1/t21-,22-,23-,24-/m0/s1