octyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: octyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: octyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid octyl ester IUPAC Name: octyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid octyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)N2C(=CC=C2C)C

InChI

InChI=1S/C21H29NO2/c1-4-5-6-7-8-9-16-24-21(23)19-12-14-20(15-13-19)22-17(2)10-11-18(22)3/h10-15H,4-9,16H2,1-3H3