methyl 4-[(7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)carbonyl]-2-methoxy-benzoate

Systemtic Name: methyl 4-[(7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)carbonyl]-2-methoxy-benzoate Openeye Name: methyl 4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-2-methoxy-benzoate CAS Name: 4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-oxomethyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-2-methoxybenzoate Traditional Name: 4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-2-methoxy-benzoic acid methyl ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H20ClNO4/c1-25-18-12-14(6-8-16(18)20(24)26-2)19(23)22-10-4-3-5-13-11-15(21)7-9-17(13)22/h6-9,11-12H,3-5,10H2,1-2H3