methyl 2-[(2-chlorophenyl)carbonyl-(7-methyl-1-phenyl-isoquinolin-3-yl)amino]ethanoate

Systemtic Name: methyl 2-[(2-chlorophenyl)carbonyl-(7-methyl-1-phenyl-isoquinolin-3-yl)amino]ethanoate Openeye Name: methyl 2-[(2-chlorobenzoyl)-(7-methyl-1-phenyl-3-isoquinolyl)amino]acetate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]-(7-methyl-1-phenyl-3-isoquinolinyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-chlorobenzoyl)-(7-methyl-1-phenylisoquinolin-3-yl)amino]acetate Traditional Name: 2-[(2-chlorobenzoyl)-(7-methyl-1-phenyl-3-isoquinolyl)amino]acetic acid methyl ester Formula: C26H21ClN2O3 MolecularWeight: 444.90954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=C(C=C2C=C1)N(CC(=O)OC)C(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(N=C(C=C2C=C1)N(CC(=O)OC)C(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H21ClN2O3/c1-17-12-13-19-15-23(28-25(21(19)14-17)18-8-4-3-5-9-18)29(16-24(30)32-2)26(31)20-10-6-7-11-22(20)27/h3-15H,16H2,1-2H3