[2-[[(2R)-butan-2-yl]-butyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[[(2R)-butan-2-yl]-butyl-amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[butyl-[(1R)-1-methylpropyl]amino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[[(2R)-butan-2-yl]-butylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-butan-2-yl]-butylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[butyl-[(1R)-1-methylpropyl]amino]-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C)CC)C(=O)COC(=O)C1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCCCN([C@H](C)CC)C(=O)COC(=O)C1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C20H26N2O4/c1-4-6-11-22(14(3)5-2)18(23)13-26-20(25)17-12-15-9-7-8-10-16(15)19(24)21-17/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,21,24)/t14-/m1/s1