[1-(8-cyclohexylcarbonyloxy-2-oxidanylidene-1H-quinolin-5-yl)-2-(phenethylamino)butyl] 4-methylbenzoate

Systemtic Name: [1-(8-cyclohexylcarbonyloxy-2-oxidanylidene-1H-quinolin-5-yl)-2-(phenethylamino)butyl] 4-methylbenzoate Openeye Name: [1-[8-(cyclohexanecarbonyloxy)-2-oxo-1H-quinolin-5-yl]-2-(phenethylamino)butyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [1-[8-[cyclohexyl(oxo)methoxy]-2-oxo-1H-quinolin-5-yl]-2-(phenethylamino)butyl] ester IUPAC Name: [1-[8-(cyclohexanecarbonyloxy)-2-oxo-1H-quinolin-5-yl]-2-(phenethylamino)butyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [1-[8-(cyclohexanecarbonyloxy)-2-keto-1H-quinolin-5-yl]-2-(phenethylamino)butyl] ester Formula: C36H40N2O5 MolecularWeight: 580.7132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3CCCCC3)OC(=O)C4=CC=C(C=C4)C)NCCC5=CC=CC=C5

Isomeric SMILES

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)OC(=O)C3CCCCC3)OC(=O)C4=CC=C(C=C4)C)NCCC5=CC=CC=C5

InChI

InChI=1S/C36H40N2O5/c1-3-30(37-23-22-25-10-6-4-7-11-25)34(43-36(41)27-16-14-24(2)15-17-27)29-18-20-31(33-28(29)19-21-32(39)38-33)42-35(40)26-12-8-5-9-13-26/h4,6-7,10-11,14-21,26,30,34,37H,3,5,8-9,12-13,22-23H2,1-2H3,(H,38,39)