[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C26H23N3O3/c1-3-18-10-12-20(13-11-18)28-25(30)17(2)32-26(31)22-15-24(19-7-6-14-27-16-19)29-23-9-5-4-8-21(22)23/h4-17H,3H2,1-2H3,(H,28,30)