4-[[phenylcarbamoyl(pyridin-4-ylmethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[phenylcarbamoyl(pyridin-4-ylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[phenylcarbamoyl(4-pyridylmethyl)amino]methyl]benzoic acid CAS Name: 4-[[[anilino(oxo)methyl]-(pyridin-4-ylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[phenylcarbamoyl(pyridin-4-ylmethyl)amino]methyl]benzoic acid Traditional Name: 4-[[phenylcarbamoyl(4-pyridylmethyl)amino]methyl]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=NC=C3

InChI

InChI=1S/C21H19N3O3/c25-20(26)18-8-6-16(7-9-18)14-24(15-17-10-12-22-13-11-17)21(27)23-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,23,27)(H,25,26)