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

Systemtic Name: methyl 5-(4-chloranyl-3-methoxy-phenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Openeye Name: methyl 5-(4-chloro-3-methoxy-phenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate CAS Name: 5-(4-chloro-3-methoxyphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chloro-3-methoxyphenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Traditional Name: 5-(4-chloro-3-methoxy-phenyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)C(=O)OC)Cl

InChI

InChI=1S/C21H24ClNO5/c1-25-17-9-12(5-6-16(17)22)15-11-23-8-7-13-14(15)10-18(26-2)20(27-3)19(13)21(24)28-4/h5-6,9-10,15,23H,7-8,11H2,1-4H3