2-[4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-6-butyl-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-6-butyl-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[3-(2-amino-2-oxo-ethyl)-6-butyl-2-oxo-1-pyridyl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-(2-amino-2-oxoethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[3-(2-amino-2-oxoethyl)-6-butyl-2-oxopyridin-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-(2-amino-2-keto-ethyl)-6-butyl-2-keto-1-pyridyl]methyl]phenyl]benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC(=O)N

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CC(=O)N

InChI

InChI=1S/C25H26N2O4/c1-2-3-6-20-14-13-19(15-23(26)28)24(29)27(20)16-17-9-11-18(12-10-17)21-7-4-5-8-22(21)25(30)31/h4-5,7-14H,2-3,6,15-16H2,1H3,(H2,26,28)(H,30,31)