[2-oxidanylidene-5-[1-oxidanyl-2-(phenethylamino)butyl]-1H-quinolin-8-yl] cyclohexanecarboxylate

Systemtic Name: [2-oxidanylidene-5-[1-oxidanyl-2-(phenethylamino)butyl]-1H-quinolin-8-yl] cyclohexanecarboxylate Openeye Name: [5-[1-hydroxy-2-(phenethylamino)butyl]-2-oxo-1H-quinolin-8-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [5-[1-hydroxy-2-(phenethylamino)butyl]-2-oxo-1H-quinolin-8-yl] ester IUPAC Name: [5-[1-hydroxy-2-(phenethylamino)butyl]-2-oxo-1H-quinolin-8-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [5-[1-hydroxy-2-(phenethylamino)butyl]-2-keto-1H-quinolin-8-yl] ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3CCCCC3)O)NCCC4=CC=CC=C4

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3CCCCC3)O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O4/c1-2-23(29-18-17-19-9-5-3-6-10-19)27(32)22-13-15-24(26-21(22)14-16-25(31)30-26)34-28(33)20-11-7-4-8-12-20/h3,5-6,9-10,13-16,20,23,27,29,32H,2,4,7-8,11-12,17-18H2,1H3,(H,30,31)