ethyl 1-(4-tert-butylphenyl)-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(4-tert-butylphenyl)-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-(4-tert-butylphenyl)-4-oxo-7-(4-pyridyl)quinoline-3-carboxylate CAS Name: 1-(4-tert-butylphenyl)-4-oxo-7-pyridin-4-yl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-tert-butylphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate Traditional Name: 1-(4-tert-butylphenyl)-4-keto-7-(4-pyridyl)quinoline-3-carboxylic acid ethyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C3=CC=NC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C3=CC=NC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H26N2O3/c1-5-32-26(31)23-17-29(21-9-7-20(8-10-21)27(2,3)4)24-16-19(6-11-22(24)25(23)30)18-12-14-28-15-13-18/h6-17H,5H2,1-4H3