[2-oxidanylidene-5-[1-oxidanyl-2-(phenethylamino)butyl]-3,4-dihydro-1H-quinolin-8-yl] hexanoate

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(phenethylamino)butyl]-3,4-dihydro-1H-quinolin-8-yl] hexanoate Openeye Name: [5-[1-hydroxy-2-(phenethylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] hexanoate CAS Name: hexanoic acid [5-[1-hydroxy-2-(phenethylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-hydroxy-2-(phenethylamino)butyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl] hexanoate Traditional Name: hexanoic acid [5-[1-hydroxy-2-(phenethylamino)butyl]-2-keto-3,4-dihydro-1H-quinolin-8-yl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C2C(=C(C=C1)C(C(CC)NCCC3=CC=CC=C3)O)CCC(=O)N2

Isomeric SMILES

CCCCCC(=O)OC1=C2C(=C(C=C1)C(C(CC)NCCC3=CC=CC=C3)O)CCC(=O)N2

InChI

InChI=1S/C27H36N2O4/c1-3-5-7-12-25(31)33-23-15-13-21(20-14-16-24(30)29-26(20)23)27(32)22(4-2)28-18-17-19-10-8-6-9-11-19/h6,8-11,13,15,22,27-28,32H,3-5,7,12,14,16-18H2,1-2H3,(H,29,30)