3-[[4-[4-(4-azanylcyclohexyl)-1-methyl-imidazol-2-yl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[4-(4-azanylcyclohexyl)-1-methyl-imidazol-2-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[4-(4-aminocyclohexyl)-1-methyl-imidazol-2-yl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[4-(4-aminocyclohexyl)-1-methyl-2-imidazolyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[4-(4-aminocyclohexyl)-1-methylimidazol-2-yl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[4-(4-aminocyclohexyl)-1-methyl-imidazol-2-yl]benzoyl]amino]propionic acid Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC=C(C=C2)C(=O)NCCC(=O)O)C3CCC(CC3)N

Isomeric SMILES

CN1C=C(N=C1C2=CC=C(C=C2)C(=O)NCCC(=O)O)C3CCC(CC3)N

InChI

InChI=1S/C20H26N4O3/c1-24-12-17(13-6-8-16(21)9-7-13)23-19(24)14-2-4-15(5-3-14)20(27)22-11-10-18(25)26/h2-5,12-13,16H,6-11,21H2,1H3,(H,22,27)(H,25,26)