7,8-dimethoxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid

Systemtic Name: 7,8-dimethoxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid Openeye Name: 3-benzyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid CAS Name: 7,8-dimethoxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid IUPAC Name: 3-benzyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid Traditional Name: 3-benzyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C26H27NO4/c1-30-23-15-21-20(24(26(28)29)25(23)31-2)13-14-27(16-18-9-5-3-6-10-18)17-22(21)19-11-7-4-8-12-19/h3-12,15,22H,13-14,16-17H2,1-2H3,(H,28,29)