2-[carboxy-[2-[3-(phenylmethyl)imidazol-4-yl]ethyl]amino]butanoic acid

Systemtic Name: 2-[carboxy-[2-[3-(phenylmethyl)imidazol-4-yl]ethyl]amino]butanoic acid Openeye Name: 2-[2-(3-benzylimidazol-4-yl)ethyl-carboxy-amino]butanoic acid CAS Name: 2-[carboxy-[2-[3-(phenylmethyl)-4-imidazolyl]ethyl]amino]butanoic acid IUPAC Name: 2-[2-(3-benzylimidazol-4-yl)ethyl-carboxyamino]butanoic acid Traditional Name: 2-[2-(3-benzylimidazol-4-yl)ethyl-carboxy-amino]butyric acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CCC1=CN=CN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C(=O)O)N(CCC1=CN=CN1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H21N3O4/c1-2-15(16(21)22)20(17(23)24)9-8-14-10-18-12-19(14)11-13-6-4-3-5-7-13/h3-7,10,12,15H,2,8-9,11H2,1H3,(H,21,22)(H,23,24)