3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propanoic acid

Systemtic Name: 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 3-[3-(4-cyanobenzyl)imidazol-4-yl]propionic acid Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=C2CCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=C2CCC(=O)O)C#N

InChI

InChI=1S/C14H13N3O2/c15-7-11-1-3-12(4-2-11)9-17-10-16-8-13(17)5-6-14(18)19/h1-4,8,10H,5-6,9H2,(H,18,19)