methyl 3-[[4-(1H-imidazol-5-yl)phenyl]carbonylamino]-2-(piperidin-3-ylmethyl)butanoate

Systemtic Name: methyl 3-[[4-(1H-imidazol-5-yl)phenyl]carbonylamino]-2-(piperidin-3-ylmethyl)butanoate Openeye Name: methyl 3-[[4-(1H-imidazol-5-yl)benzoyl]amino]-2-(3-piperidylmethyl)butanoate CAS Name: 3-[[[4-(1H-imidazol-5-yl)phenyl]-oxomethyl]amino]-2-(3-piperidinylmethyl)butanoic acid methyl ester IUPAC Name: methyl 3-[[4-(1H-imidazol-5-yl)benzoyl]amino]-2-(piperidin-3-ylmethyl)butanoate Traditional Name: 3-[[4-(1H-imidazol-5-yl)benzoyl]amino]-2-(3-piperidylmethyl)butyric acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1CCCNC1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CN3

Isomeric SMILES

CC(C(CC1CCCNC1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CN3

InChI

InChI=1S/C21H28N4O3/c1-14(18(21(27)28-2)10-15-4-3-9-22-11-15)25-20(26)17-7-5-16(6-8-17)19-12-23-13-24-19/h5-8,12-15,18,22H,3-4,9-11H2,1-2H3,(H,23,24)(H,25,26)