methyl 7,8-bis(oxidanyl)-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate

Systemtic Name: methyl 7,8-bis(oxidanyl)-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate Openeye Name: methyl 3-benzyl-7,8-dihydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate CAS Name: 7,8-dihydroxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-7,8-dihydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate Traditional Name: 3-benzyl-7,8-dihydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H25NO4/c1-30-25(29)23-19-12-13-26(15-17-8-4-2-5-9-17)16-21(18-10-6-3-7-11-18)20(19)14-22(27)24(23)28/h2-11,14,21,27-28H,12-13,15-16H2,1H3