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

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 2-[(4-methoxyphenyl)methyl]-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-[(4-methoxyphenyl)methyl]-1-oxo-3-isoquinolinecarboxylate IUPAC Name: 2-[(4-methoxyphenyl)methyl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-p-anisyl-isoquinoline-3-carboxylate Formula: C18H14NO4- MolecularWeight: 308.30806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=CC3=CC=CC=C3C2=O)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=CC3=CC=CC=C3C2=O)C(=O)[O-]

InChI

InChI=1S/C18H15NO4/c1-23-14-8-6-12(7-9-14)11-19-16(18(21)22)10-13-4-2-3-5-15(13)17(19)20/h2-10H,11H2,1H3,(H,21,22)/p-1