methyl 1-oxidanylidene-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[(E)-3-(3,4,5-trimethoxyphenyl)acryloyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C23H22N2O7/c1-29-18-11-14(12-19(30-2)21(18)31-3)9-10-20(26)24-25-13-17(23(28)32-4)15-7-5-6-8-16(15)22(25)27/h5-13H,1-4H3,(H,24,26)/b10-9+