2-[[3-(4-chlorophenyl)-3-oxidanylidene-propyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[[3-(4-chlorophenyl)-3-oxidanylidene-propyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[3-(4-chlorophenyl)-3-oxo-propyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[3-(4-chlorophenyl)-3-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[3-(4-chlorophenyl)-3-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[3-(4-chlorophenyl)-3-keto-propyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCNC(CC2=CN=CN2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCNC(CC2=CN=CN2)C(=O)O)Cl

InChI

InChI=1S/C15H16ClN3O3/c16-11-3-1-10(2-4-11)14(20)5-6-18-13(15(21)22)7-12-8-17-9-19-12/h1-4,8-9,13,18H,5-7H2,(H,17,19)(H,21,22)