[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1R)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H20N2O4/c1-13(20(25)23-17-10-9-14-6-4-7-15(14)11-17)28-22(27)19-12-16-5-2-3-8-18(16)21(26)24-19/h2-3,5,8-13H,4,6-7H2,1H3,(H,23,25)(H,24,26)/t13-/m1/s1