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

Systemtic Name: methyl 1-oxidanylidene-2-[[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate Openeye Name: methyl 2-[[(E)-3-(2-isopropoxyphenyl)prop-2-enoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[(E)-1-oxo-3-(2-propan-2-yloxyphenyl)prop-2-enyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[[(E)-3-(2-propan-2-yloxyphenyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate Traditional Name: 2-[[(E)-3-(2-isopropoxyphenyl)acryloyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC=C1/C=C/C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C23H22N2O5/c1-15(2)30-20-11-7-4-8-16(20)12-13-21(26)24-25-14-19(23(28)29-3)17-9-5-6-10-18(17)22(25)27/h4-15H,1-3H3,(H,24,26)/b13-12+