propan-2-yl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: propan-2-yl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: isopropyl 2-(4-ethoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-ethoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-p-phenetyl-isoquinoline-4-carboxylic acid isopropyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OC(C)C

InChI

InChI=1S/C21H21NO4/c1-4-25-16-11-9-15(10-12-16)22-13-19(21(24)26-14(2)3)17-7-5-6-8-18(17)20(22)23/h5-14H,4H2,1-3H3