methyl 7,8-diethoxy-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-5-carboxylate

Systemtic Name: methyl 7,8-diethoxy-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-5-carboxylate Openeye Name: methyl 3-benzyl-7,8-diethoxy-1,2,4,5-tetrahydro-3-benzazepine-5-carboxylate CAS Name: 7,8-diethoxy-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-7,8-diethoxy-1,2,4,5-tetrahydro-3-benzazepine-5-carboxylate Traditional Name: 3-benzyl-7,8-diethoxy-1,2,4,5-tetrahydro-3-benzazepine-5-carboxylic acid methyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(CN(CCC2=C1)CC3=CC=CC=C3)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(CN(CCC2=C1)CC3=CC=CC=C3)C(=O)OC)OCC

InChI

InChI=1S/C23H29NO4/c1-4-27-21-13-18-11-12-24(15-17-9-7-6-8-10-17)16-20(23(25)26-3)19(18)14-22(21)28-5-2/h6-10,13-14,20H,4-5,11-12,15-16H2,1-3H3