(1R,6S)-6-(3-imidazol-1-ylpropylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-(3-imidazol-1-ylpropylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-(3-imidazol-1-ylpropylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[3-(1-imidazolyl)propylamino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-(3-imidazol-1-ylpropylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(3-imidazol-1-ylpropylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C16H22N3O3- MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCCCN2C=CN=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NCCCN2C=CN=C2)C(=O)[O-])C

InChI

InChI=1S/C16H23N3O3/c1-11-8-13(14(16(21)22)9-12(11)2)15(20)18-4-3-6-19-7-5-17-10-19/h5,7,10,13-14H,3-4,6,8-9H2,1-2H3,(H,18,20)(H,21,22)/p-1/t13-,14+/m0/s1