methyl 2-[[(E)-2-methyl-3-phenyl-prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[(E)-2-methyl-3-phenyl-prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[(E)-2-methyl-3-phenyl-prop-2-enoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(E)-2-methyl-1-oxo-3-phenylprop-2-enyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[(E)-2-methyl-3-phenyl-acryloyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C21H18N2O4/c1-14(12-15-8-4-3-5-9-15)19(24)22-23-13-18(21(26)27-2)16-10-6-7-11-17(16)20(23)25/h3-13H,1-2H3,(H,22,24)/b14-12+