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

Systemtic Name: methyl 2-(cyclohexen-1-ylmethyl)-3-[[4-(1H-imidazol-5-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 2-(cyclohexen-1-ylmethyl)-3-[[4-(1H-imidazol-5-yl)benzoyl]amino]butanoate CAS Name: 2-(1-cyclohexenylmethyl)-3-[[[4-(1H-imidazol-5-yl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-(cyclohexen-1-ylmethyl)-3-[[4-(1H-imidazol-5-yl)benzoyl]amino]butanoate Traditional Name: 2-(cyclohexen-1-ylmethyl)-3-[[4-(1H-imidazol-5-yl)benzoyl]amino]butyric acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CCCCC1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CN3

Isomeric SMILES

CC(C(CC1=CCCCC1)C(=O)OC)NC(=O)C2=CC=C(C=C2)C3=CN=CN3

InChI

InChI=1S/C22H27N3O3/c1-15(19(22(27)28-2)12-16-6-4-3-5-7-16)25-21(26)18-10-8-17(9-11-18)20-13-23-14-24-20/h6,8-11,13-15,19H,3-5,7,12H2,1-2H3,(H,23,24)(H,25,26)