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methyl 2-acetamido-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

methyl 2-acetamido-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name:methyl 2-acetamido-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate
Openeye Name:methyl 2-acetamido-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate
CAS Name:2-acetamido-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester
IUPAC Name:methyl 2-acetamido-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate
Traditional Name:2-acetamido-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester
Formula: C22H22N2O7
MolecularWeight: 426.41928
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC


Isomeric SMILES

CC(=O)NN1C(=C(C2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC


InChI

InChI=1S/C22H22N2O7/c1-12(25)23-24-19(22(27)31-5)18(14-8-6-7-9-15(14)21(24)26)13-10-16(28-2)20(30-4)17(11-13)29-3/h6-11H,1-5H3,(H,23,25)


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