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

Systemtic Name: methyl 1-oxidanylidene-2-[[(E)-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate Openeye Name: methyl 2-[[(E)-3-(4-isopropoxyphenyl)prop-2-enoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[(E)-1-oxo-3-(4-propan-2-yloxyphenyl)prop-2-enyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[[(E)-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate Traditional Name: 2-[[(E)-3-(4-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=C(C=C1)C=CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

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

InChI

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