phenethyl 7-oxidanyl-6-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: phenethyl 7-oxidanyl-6-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: phenethyl 7-hydroxy-6-oxo-2H-isoquinoline-3-carboxylate CAS Name: 7-hydroxy-6-oxo-2H-isoquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 7-hydroxy-6-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 7-hydroxy-6-keto-2H-isoquinoline-3-carboxylic acid phenethyl ester Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)C2=CC3=CC(=O)C(=CC3=CN2)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)C2=CC3=CC(=O)C(=CC3=CN2)O

InChI

InChI=1S/C18H15NO4/c20-16-9-13-8-15(19-11-14(13)10-17(16)21)18(22)23-7-6-12-4-2-1-3-5-12/h1-5,8-11,19,21H,6-7H2