methyl 2-[3-(4-methoxyphenyl)propanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[3-(4-methoxyphenyl)propanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[3-(4-methoxyphenyl)propanoylamino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methoxyphenyl)propanoylamino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[3-(4-methoxyphenyl)propanoylamino]isoquinoline-4-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

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