[1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl] 3-quinolin-2-ylpropanoate

Systemtic Name: [1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl] 3-quinolin-2-ylpropanoate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl] 3-(2-quinolyl)propanoate CAS Name: 3-(2-quinolinyl)propanoic acid [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate Traditional Name: 3-(2-quinolyl)propionic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)OC(=O)CCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H27N3O4/c1-16-7-6-8-17(2)24(16)28-22(29)15-26-25(31)18(3)32-23(30)14-13-20-12-11-19-9-4-5-10-21(19)27-20/h4-12,18H,13-15H2,1-3H3,(H,26,31)(H,28,29)