[2-oxidanylidene-2-(pentylamino)ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C17H20N2O4/c1-2-3-6-9-18-15(20)11-23-17(22)14-10-12-7-4-5-8-13(12)16(21)19-14/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,18,20)(H,19,21)