(1S,2S)-2-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]carbamoyl]cyclohexanecarboxylate Formula: C19H22N3O3- MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C19H23N3O3/c1-13(14-6-8-15(9-7-14)22-11-10-20-12-22)21-18(23)16-4-2-3-5-17(16)19(24)25/h6-13,16-17H,2-5H2,1H3,(H,21,23)(H,24,25)/p-1/t13-,16-,17-/m0/s1