3-methoxycarbonyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-6-carboxylic acid

Systemtic Name: 3-methoxycarbonyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinoline-6-carboxylic acid Openeye Name: 2-benzyl-3-methoxycarbonyl-1-oxo-4-phenyl-isoquinoline-6-carboxylic acid CAS Name: 3-methoxycarbonyl-1-oxo-4-phenyl-2-(phenylmethyl)-6-isoquinolinecarboxylic acid IUPAC Name: 2-benzyl-3-methoxycarbonyl-1-oxo-4-phenylisoquinoline-6-carboxylic acid Traditional Name: 2-benzyl-3-carbomethoxy-1-keto-4-phenyl-isoquinoline-6-carboxylic acid Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC(=C2)C(=O)O)C(=O)N1CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC(=C2)C(=O)O)C(=O)N1CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H19NO5/c1-31-25(30)22-21(17-10-6-3-7-11-17)20-14-18(24(28)29)12-13-19(20)23(27)26(22)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3,(H,28,29)