(4-aminocarbonylphenyl)methyl 2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (4-aminocarbonylphenyl)methyl 2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(2-chlorophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-carbamoylbenzyl) ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl)C(=O)OCC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl)C(=O)OCC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C25H21ClN2O4/c26-21-8-4-3-7-20(21)24(30)28-14-19-6-2-1-5-18(19)13-22(28)25(31)32-15-16-9-11-17(12-10-16)23(27)29/h1-12,22H,13-15H2,(H2,27,29)