[2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-3,4-dihydro-1H-quinolin-8-yl] 3-ethylbenzoate

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(propan-2-ylamino)butyl]-3,4-dihydro-1H-quinolin-8-yl] 3-ethylbenzoate Openeye Name: [5-[1-hydroxy-2-(isopropylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] 3-ethylbenzoate CAS Name: 3-ethylbenzoic acid [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-hydroxy-2-(propan-2-ylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] 3-ethylbenzoate Traditional Name: 3-ethylbenzoic acid [5-[1-hydroxy-2-(isopropylamino)butyl]-2-keto-3,4-dihydro-1H-quinolin-8-yl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)OC2=C3C(=C(C=C2)C(C(CC)NC(C)C)O)CCC(=O)N3

Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)OC2=C3C(=C(C=C2)C(C(CC)NC(C)C)O)CCC(=O)N3

InChI

InChI=1S/C25H32N2O4/c1-5-16-8-7-9-17(14-16)25(30)31-21-12-10-19(18-11-13-22(28)27-23(18)21)24(29)20(6-2)26-15(3)4/h7-10,12,14-15,20,24,26,29H,5-6,11,13H2,1-4H3,(H,27,28)