[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C26H28N2O5 MolecularWeight: 448.51092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H28N2O5/c1-4-8-21-19(5-2)24(20-9-6-7-10-22(20)28-21)26(31)33-16-23(29)27-15-17-11-13-18(14-12-17)25(30)32-3/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,27,29)