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

Systemtic Name: methyl 3-[[4-[4-(4-azanylcyclohexyl)-1-methyl-imidazol-2-yl]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-[4-(4-aminocyclohexyl)-1-methyl-imidazol-2-yl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[4-(4-aminocyclohexyl)-1-methyl-2-imidazolyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-[4-(4-aminocyclohexyl)-1-methylimidazol-2-yl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[4-(4-aminocyclohexyl)-1-methyl-imidazol-2-yl]benzoyl]amino]propionic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-25-13-18(14-7-9-17(22)10-8-14)24-20(25)15-3-5-16(6-4-15)21(27)23-12-11-19(26)28-2/h3-6,13-14,17H,7-12,22H2,1-2H3,(H,23,27)