methyl 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate

Systemtic Name: methyl 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate Openeye Name: methyl 3-(aminomethyl)-4-(4-chlorophenyl)-2-isobutyl-1-oxo-isoquinoline-6-carboxylate CAS Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(aminomethyl)-4-(4-chlorophenyl)-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxylate Traditional Name: 3-(aminomethyl)-4-(4-chlorophenyl)-2-isobutyl-1-keto-isoquinoline-6-carboxylic acid methyl ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)OC)C3=CC=C(C=C3)Cl)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)OC)C3=CC=C(C=C3)Cl)CN

InChI

InChI=1S/C22H23ClN2O3/c1-13(2)12-25-19(11-24)20(14-4-7-16(23)8-5-14)18-10-15(22(27)28-3)6-9-17(18)21(25)26/h4-10,13H,11-12,24H2,1-3H3