(phenylmethyl) 2-oxidanylidene-9b-(2-phenoxyethanoylamino)-1H-azeto[2,1-a]isoquinoline-4-carboxylate

Systemtic Name: (phenylmethyl) 2-oxidanylidene-9b-(2-phenoxyethanoylamino)-1H-azeto[2,1-a]isoquinoline-4-carboxylate Openeye Name: benzyl 2-oxo-9b-[(2-phenoxyacetyl)amino]-1H-azeto[2,1-a]isoquinoline-4-carboxylate CAS Name: 2-oxo-9b-[(1-oxo-2-phenoxyethyl)amino]-1H-azeto[2,1-a]isoquinoline-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-oxo-9b-[(2-phenoxyacetyl)amino]-1H-azeto[2,1-a]isoquinoline-4-carboxylate Traditional Name: 2-keto-9b-[(2-phenoxyacetyl)amino]-1H-azet[2,1-a]isoquinoline-4-carboxylic acid benzyl ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N2C1(C3=CC=CC=C3C=C2C(=O)OCC4=CC=CC=C4)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

C1C(=O)N2C1(C3=CC=CC=C3C=C2C(=O)OCC4=CC=CC=C4)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C27H22N2O5/c30-24(18-33-21-12-5-2-6-13-21)28-27-16-25(31)29(27)23(15-20-11-7-8-14-22(20)27)26(32)34-17-19-9-3-1-4-10-19/h1-15H,16-18H2,(H,28,30)