[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H29N3O3/c1-5-9-21-19(6-2)24(20-10-7-8-11-22(20)27-21)25(30)31-16-23(29)26-17-12-14-18(15-13-17)28(3)4/h7-8,10-15H,5-6,9,16H2,1-4H3,(H,26,29)