methyl 3-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-4-methyl-benzoate CAS Name: 3-[[3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-4-methylbenzoate Traditional Name: 3-[3-(1,3-diketo-4H-isoquinolin-2-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C(=O)CC3=CC=CC=C3C2=O

InChI

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