pyrrol-1-ylmethyl 3,3-dimethyl-2-(4-methylphenyl)-4-(4-propylphenyl)butanoate

Systemtic Name: pyrrol-1-ylmethyl 3,3-dimethyl-2-(4-methylphenyl)-4-(4-propylphenyl)butanoate Openeye Name: pyrrol-1-ylmethyl 3,3-dimethyl-4-(4-propylphenyl)-2-(p-tolyl)butanoate CAS Name: 3,3-dimethyl-2-(4-methylphenyl)-4-(4-propylphenyl)butanoic acid 1-pyrrolylmethyl ester IUPAC Name: pyrrol-1-ylmethyl 3,3-dimethyl-2-(4-methylphenyl)-4-(4-propylphenyl)butanoate Traditional Name: 3,3-dimethyl-4-(4-propylphenyl)-2-(p-tolyl)butyric acid pyrrol-1-ylmethyl ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CC(C)(C)C(C2=CC=C(C=C2)C)C(=O)OCN3C=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)CC(C)(C)C(C2=CC=C(C=C2)C)C(=O)OCN3C=CC=C3

InChI

InChI=1S/C27H33NO2/c1-5-8-22-11-13-23(14-12-22)19-27(3,4)25(24-15-9-21(2)10-16-24)26(29)30-20-28-17-6-7-18-28/h6-7,9-18,25H,5,8,19-20H2,1-4H3