methyl 1-[(2-aminocarbonylphenyl)methyl]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[(2-aminocarbonylphenyl)methyl]isoquinoline-4-carboxylate Openeye Name: methyl 1-[(2-carbamoylphenyl)methyl]isoquinoline-4-carboxylate CAS Name: 1-[(2-carbamoylphenyl)methyl]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-carbamoylphenyl)methyl]isoquinoline-4-carboxylate Traditional Name: 1-(2-carbamoylbenzyl)isoquinoline-4-carboxylic acid methyl ester Formula: C19H16N2O3 MolecularWeight: 320.34194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)CC3=CC=CC=C3C(=O)N

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)CC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C19H16N2O3/c1-24-19(23)16-11-21-17(15-9-5-4-8-14(15)16)10-12-6-2-3-7-13(12)18(20)22/h2-9,11H,10H2,1H3,(H2,20,22)