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

Systemtic Name: methyl 2-[1-(4-azanyl-2-methoxy-phenyl)carbonyl-7-chloranyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl]ethanoate Openeye Name: methyl 2-[1-(4-amino-2-methoxy-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate CAS Name: 2-[1-[(4-amino-2-methoxyphenyl)-oxomethyl]-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-amino-2-methoxybenzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate Traditional Name: 2-[1-(4-amino-2-methoxy-benzoyl)-7-chloro-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetic acid methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)N)C(=O)N2CCCC(C3=C2C=CC(=C3)Cl)CC(=O)OC

InChI

InChI=1S/C21H23ClN2O4/c1-27-19-12-15(23)6-7-16(19)21(26)24-9-3-4-13(10-20(25)28-2)17-11-14(22)5-8-18(17)24/h5-8,11-13H,3-4,9-10,23H2,1-2H3