[5-[1-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-2-oxidanylidene-1H-quinolin-8-yl] 2-propylbenzoate

Systemtic Name: [5-[1-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-2-oxidanylidene-1H-quinolin-8-yl] 2-propylbenzoate Openeye Name: [5-[1-[(2-hydroxy-1,1-dimethyl-ethyl)amino]ethyl]-2-oxo-1H-quinolin-8-yl] 2-propylbenzoate CAS Name: 2-propylbenzoic acid [5-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-[(1-hydroxy-2-methylpropan-2-yl)amino]ethyl]-2-oxo-1H-quinolin-8-yl] 2-propylbenzoate Traditional Name: 2-propylbenzoic acid [5-[1-[(2-hydroxy-1,1-dimethyl-ethyl)amino]ethyl]-2-keto-1H-quinolin-8-yl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1C(=O)OC2=C3C(=C(C=C2)C(C)NC(C)(C)CO)C=CC(=O)N3

Isomeric SMILES

CCCC1=CC=CC=C1C(=O)OC2=C3C(=C(C=C2)C(C)NC(C)(C)CO)C=CC(=O)N3

InChI

InChI=1S/C25H30N2O4/c1-5-8-17-9-6-7-10-19(17)24(30)31-21-13-11-18(16(2)27-25(3,4)15-28)20-12-14-22(29)26-23(20)21/h6-7,9-14,16,27-28H,5,8,15H2,1-4H3,(H,26,29)