3-[4-[4-azanyl-3-(pyridin-3-ylcarbonylamino)phenyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-azanyl-3-(pyridin-3-ylcarbonylamino)phenyl]phenyl]propanoic acid Openeye Name: 3-[4-[4-amino-3-(pyridine-3-carbonylamino)phenyl]phenyl]propanoic acid CAS Name: 3-[4-[4-amino-3-[[oxo(3-pyridinyl)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-amino-3-(pyridine-3-carbonylamino)phenyl]phenyl]propanoic acid Traditional Name: 3-[4-(4-amino-3-nicotinamido-phenyl)phenyl]propionic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=C(C=C3)CCC(=O)O)N

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=C(C=C3)CCC(=O)O)N

InChI

InChI=1S/C21H19N3O3/c22-18-9-8-16(15-6-3-14(4-7-15)5-10-20(25)26)12-19(18)24-21(27)17-2-1-11-23-13-17/h1-4,6-9,11-13H,5,10,22H2,(H,24,27)(H,25,26)