methyl 4-[3-[2-(4-tert-butylcyclohexyl)carbonyloxyethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(4-tert-butylcyclohexyl)carbonyloxyethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(4-tert-butylcyclohexanecarbonyl)oxyacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(4-tert-butylcyclohexyl)-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(4-tert-butylcyclohexanecarbonyl)oxyacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(4-tert-butylcyclohexanecarbonyl)oxyacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3CCC(CC3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3CCC(CC3)C(C)(C)C

InChI

InChI=1S/C27H35NO5/c1-17-15-23(18(2)28(17)22-13-9-19(10-14-22)25(30)32-6)24(29)16-33-26(31)20-7-11-21(12-8-20)27(3,4)5/h9-10,13-15,20-21H,7-8,11-12,16H2,1-6H3