pyridin-2-ylmethyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: pyridin-2-ylmethyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 2-pyridylmethyl 2-(4-ethoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-(4-ethoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-p-phenetyl-isoquinoline-4-carboxylic acid 2-pyridylmethyl ester Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C24H20N2O4/c1-2-29-19-12-10-18(11-13-19)26-15-22(20-8-3-4-9-21(20)23(26)27)24(28)30-16-17-7-5-6-14-25-17/h3-15H,2,16H2,1H3