3-[[6-butyl-2-oxidanylidene-1-[(2-phenylphenyl)methyl]pyridin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[6-butyl-2-oxidanylidene-1-[(2-phenylphenyl)methyl]pyridin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[6-butyl-2-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[6-butyl-2-oxo-1-[(2-phenylphenyl)methyl]-3-pyridinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6-butyl-2-oxo-1-[(2-phenylphenyl)methyl]pyridine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[6-butyl-2-keto-1-(2-phenylbenzyl)nicotinoyl]amino]propionic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=CC=C2C3=CC=CC=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=CC=C2C3=CC=CC=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H28N2O4/c1-2-3-12-21-14-15-23(25(31)27-17-16-24(29)30)26(32)28(21)18-20-11-7-8-13-22(20)19-9-5-4-6-10-19/h4-11,13-15H,2-3,12,16-18H2,1H3,(H,27,31)(H,29,30)