2-[2-(4-methoxyphenyl)ethyl]-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: 2-[2-(4-methoxyphenyl)ethyl]-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 2-[2-(4-methoxyphenyl)ethyl]-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-[2-(4-methoxyphenyl)ethyl]-1-oxo-3-isoquinolinecarboxylate IUPAC Name: 2-[2-(4-methoxyphenyl)ethyl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-[2-(4-methoxyphenyl)ethyl]isoquinoline-3-carboxylate Formula: C19H16NO4- MolecularWeight: 322.33464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C(=CC3=CC=CC=C3C2=O)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C(=CC3=CC=CC=C3C2=O)C(=O)[O-]

InChI

InChI=1S/C19H17NO4/c1-24-15-8-6-13(7-9-15)10-11-20-17(19(22)23)12-14-4-2-3-5-16(14)18(20)21/h2-9,12H,10-11H2,1H3,(H,22,23)/p-1