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

Systemtic Name: methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(E)-3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[(E)-3-o-phenetylacryloyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C22H20N2O5/c1-3-29-19-11-7-4-8-15(19)12-13-20(25)23-24-14-18(22(27)28-2)16-9-5-6-10-17(16)21(24)26/h4-14H,3H2,1-2H3,(H,23,25)/b13-12+