4-[(2R)-3-cyclopropylcarbonyl-1-(4-methylcyclohexyl)-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: 4-[(2R)-3-cyclopropylcarbonyl-1-(4-methylcyclohexyl)-4-oxidanidyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: 4-[(2R)-3-(cyclopropanecarbonyl)-1-(4-methylcyclohexyl)-4-oxido-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[(2R)-3-[cyclopropyl(oxo)methyl]-1-(4-methylcyclohexyl)-4-oxido-5-oxo-2H-pyrrol-2-yl]benzoate IUPAC Name: 4-[(2R)-3-(cyclopropanecarbonyl)-1-(4-methylcyclohexyl)-4-oxido-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[(2R)-3-(cyclopropanecarbonyl)-5-keto-1-(4-methylcyclohexyl)-4-oxido-3-pyrrolin-2-yl]benzoate Formula: C22H23NO5-2 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2C(C(=C(C2=O)[O-])C(=O)C3CC3)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1CCC(CC1)N2[C@@H](C(=C(C2=O)[O-])C(=O)C3CC3)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H25NO5/c1-12-2-10-16(11-3-12)23-18(13-4-8-15(9-5-13)22(27)28)17(20(25)21(23)26)19(24)14-6-7-14/h4-5,8-9,12,14,16,18,25H,2-3,6-7,10-11H2,1H3,(H,27,28)/p-2/t12?,16?,18-/m1/s1