1-oxidanylidene-2-phenethyl-isoquinoline-3-carboxylate

Systemtic Name: 1-oxidanylidene-2-phenethyl-isoquinoline-3-carboxylate Openeye Name: 1-oxo-2-phenethyl-isoquinoline-3-carboxylate CAS Name: 1-oxo-2-phenethyl-3-isoquinolinecarboxylate IUPAC Name: 1-oxo-2-phenethylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-phenethyl-isoquinoline-3-carboxylate Formula: C18H14NO3- MolecularWeight: 292.30866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO3/c20-17-15-9-5-4-8-14(15)12-16(18(21)22)19(17)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,22)/p-1