3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carboxylic acid

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carboxylic acid Openeye Name: 3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-isoquinoline-6-carboxylic acid CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinecarboxylic acid IUPAC Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxylic acid Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-isoquinoline-6-carboxylic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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)O)C3=CC=CC=C3)CN

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-13(2)12-23-18(11-22)19(14-6-4-3-5-7-14)17-10-15(21(25)26)8-9-16(17)20(23)24/h3-10,13H,11-12,22H2,1-2H3,(H,25,26)