ethyl (2S,6R)-4,6-diphenyl-1-(phenylmethyl)-2,3,6,7-tetrahydroazepine-2-carboxylate

Systemtic Name: ethyl (2S,6R)-4,6-diphenyl-1-(phenylmethyl)-2,3,6,7-tetrahydroazepine-2-carboxylate Openeye Name: ethyl (2S,6R)-1-benzyl-4,6-diphenyl-2,3,6,7-tetrahydroazepine-2-carboxylate CAS Name: (2S,6R)-4,6-diphenyl-1-(phenylmethyl)-2,3,6,7-tetrahydroazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,6R)-1-benzyl-4,6-diphenyl-2,3,6,7-tetrahydroazepine-2-carboxylate Traditional Name: (2S,6R)-1-benzyl-4,6-diphenyl-2,3,6,7-tetrahydroazepine-2-carboxylic acid ethyl ester Formula: C28H29NO2 MolecularWeight: 411.53536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=CC(CN1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1CC(=C[C@@H](CN1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO2/c1-2-31-28(30)27-19-25(23-14-8-4-9-15-23)18-26(24-16-10-5-11-17-24)21-29(27)20-22-12-6-3-7-13-22/h3-18,26-27H,2,19-21H2,1H3/t26-,27-/m0/s1