[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate

Systemtic Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl] 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic acid [2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3(CCCCC3)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)COC(=O)C3(CCCCC3)O

InChI

InChI=1S/C21H25NO4/c1-15-13-18(16(2)22(15)17-9-5-3-6-10-17)19(23)14-26-20(24)21(25)11-7-4-8-12-21/h3,5-6,9-10,13,25H,4,7-8,11-12,14H2,1-2H3