tert-butyl 3-[1-[(2-chloranyl-4-methyl-quinolin-3-yl)methyl]-2-oxidanylidene-pyridin-4-yl]-3-oxidanyl-pentanoate

Systemtic Name: tert-butyl 3-[1-[(2-chloranyl-4-methyl-quinolin-3-yl)methyl]-2-oxidanylidene-pyridin-4-yl]-3-oxidanyl-pentanoate Openeye Name: tert-butyl 3-[1-[(2-chloro-4-methyl-3-quinolyl)methyl]-2-oxo-4-pyridyl]-3-hydroxy-pentanoate CAS Name: 3-[1-[(2-chloro-4-methyl-3-quinolinyl)methyl]-2-oxo-4-pyridinyl]-3-hydroxypentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[(2-chloro-4-methylquinolin-3-yl)methyl]-2-oxopyridin-4-yl]-3-hydroxypentanoate Traditional Name: 3-[1-[(2-chloro-4-methyl-3-quinolyl)methyl]-2-keto-4-pyridyl]-3-hydroxy-valeric acid tert-butyl ester Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)N(C=C1)CC2=C(C3=CC=CC=C3N=C2Cl)C)O

Isomeric SMILES

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)N(C=C1)CC2=C(C3=CC=CC=C3N=C2Cl)C)O

InChI

InChI=1S/C25H29ClN2O4/c1-6-25(31,14-22(30)32-24(3,4)5)17-11-12-28(21(29)13-17)15-19-16(2)18-9-7-8-10-20(18)27-23(19)26/h7-13,31H,6,14-15H2,1-5H3