methyl 5-(4-ethoxyphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate

Systemtic Name: methyl 5-(4-ethoxyphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Openeye Name: methyl 5-(4-ethoxyphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate CAS Name: 5-(4-ethoxyphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-ethoxyphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Traditional Name: 7,8-dimethoxy-5-p-phenetyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)C(=O)OC

InChI

InChI=1S/C22H27NO5/c1-5-28-15-8-6-14(7-9-15)18-13-23-11-10-16-17(18)12-19(25-2)21(26-3)20(16)22(24)27-4/h6-9,12,18,23H,5,10-11,13H2,1-4H3