[2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(5-tert-butyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-2-ylquinoline-4-carboxylate Openeye Name: [2-(5-tert-butyl-2-methoxy-anilino)-2-oxo-ethyl] 2-(2-pyridyl)quinoline-4-carboxylate CAS Name: 2-(2-pyridinyl)-4-quinolinecarboxylic acid [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-pyridyl)cinchoninic acid [2-(5-tert-butyl-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C28H27N3O4/c1-28(2,3)18-12-13-25(34-4)24(15-18)31-26(32)17-35-27(33)20-16-23(22-11-7-8-14-29-22)30-21-10-6-5-9-19(20)21/h5-16H,17H2,1-4H3,(H,31,32)