(phenylmethyl) (7Z)-2-oxidanylidene-8-phenyl-1-(phenylmethyl)-3,4,5,6-tetrahydroazocine-6-carboxylate

Systemtic Name: (phenylmethyl) (7Z)-2-oxidanylidene-8-phenyl-1-(phenylmethyl)-3,4,5,6-tetrahydroazocine-6-carboxylate Openeye Name: benzyl (7Z)-1-benzyl-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylate CAS Name: (7Z)-2-oxo-8-phenyl-1-(phenylmethyl)-3,4,5,6-tetrahydroazocine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (7Z)-1-benzyl-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylate Traditional Name: (7Z)-1-benzyl-2-keto-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylic acid benzyl ester Formula: C28H27NO3 MolecularWeight: 425.51888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C(N(C(=O)C1)CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(/C=C(\N(C(=O)C1)CC2=CC=CC=C2)/C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27NO3/c30-27-18-10-17-25(28(31)32-21-23-13-6-2-7-14-23)19-26(24-15-8-3-9-16-24)29(27)20-22-11-4-1-5-12-22/h1-9,11-16,19,25H,10,17-18,20-21H2/b26-19-