[2-(tert-butylamino)-1-[8-(3-methylbutanoyloxy)-2-oxidanylidene-3,4-dihydro-1H-quinolin-5-yl]butyl] benzoate

Systemtic Name: [2-(tert-butylamino)-1-[8-(3-methylbutanoyloxy)-2-oxidanylidene-3,4-dihydro-1H-quinolin-5-yl]butyl] benzoate Openeye Name: [2-(tert-butylamino)-1-[8-(3-methylbutanoyloxy)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]butyl] benzoate CAS Name: benzoic acid [2-(tert-butylamino)-1-[8-(3-methyl-1-oxobutoxy)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]butyl] ester IUPAC Name: [2-(tert-butylamino)-1-[8-(3-methylbutanoyloxy)-2-oxo-3,4-dihydro-1H-quinolin-5-yl]butyl] benzoate Traditional Name: benzoic acid [2-(tert-butylamino)-1-(8-isovaleryloxy-2-keto-3,4-dihydro-1H-quinolin-5-yl)butyl] ester Formula: C29H38N2O5 MolecularWeight: 494.62242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2CCC(=O)NC2=C(C=C1)OC(=O)CC(C)C)OC(=O)C3=CC=CC=C3)NC(C)(C)C

Isomeric SMILES

CCC(C(C1=C2CCC(=O)NC2=C(C=C1)OC(=O)CC(C)C)OC(=O)C3=CC=CC=C3)NC(C)(C)C

InChI

InChI=1S/C29H38N2O5/c1-7-22(31-29(4,5)6)27(36-28(34)19-11-9-8-10-12-19)21-13-15-23(35-25(33)17-18(2)3)26-20(21)14-16-24(32)30-26/h8-13,15,18,22,27,31H,7,14,16-17H2,1-6H3,(H,30,32)