[2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-2-keto-ethyl] ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C22H20N2O6/c1-29-21(27)17(11-14-7-3-2-4-8-14)23-19(25)13-30-22(28)18-12-15-9-5-6-10-16(15)20(26)24-18/h2-10,12,17H,11,13H2,1H3,(H,23,25)(H,24,26)