methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-[(3-methylphenyl)methyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 4-(2-azanyl-2-oxidanylidene-ethyl)-2-[(3-methylphenyl)methyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 4-(2-amino-2-oxo-ethyl)-2-(m-tolylmethyl)-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 4-(2-amino-2-oxoethyl)-2-[(3-methylphenyl)methyl]-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-amino-2-oxoethyl)-2-[(3-methylphenyl)methyl]-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 4-(2-amino-2-keto-ethyl)-1,3-diketo-2-(3-methylbenzyl)isoquinoline-4-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)C3=CC=CC=C3C(C2=O)(CC(=O)N)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)C3=CC=CC=C3C(C2=O)(CC(=O)N)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-13-6-5-7-14(10-13)12-23-18(25)15-8-3-4-9-16(15)21(19(23)26,11-17(22)24)20(27)28-2/h3-10H,11-12H2,1-2H3,(H2,22,24)