methyl 4-butyl-3-pyrrol-1-yl-benzoate

Systemtic Name: methyl 4-butyl-3-pyrrol-1-yl-benzoate Openeye Name: methyl 4-butyl-3-pyrrol-1-yl-benzoate CAS Name: 4-butyl-3-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-butyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-butyl-3-pyrrol-1-yl-benzoic acid methyl ester Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)C(=O)OC)N2C=CC=C2

Isomeric SMILES

CCCCC1=C(C=C(C=C1)C(=O)OC)N2C=CC=C2

InChI

InChI=1S/C16H19NO2/c1-3-4-7-13-8-9-14(16(18)19-2)12-15(13)17-10-5-6-11-17/h5-6,8-12H,3-4,7H2,1-2H3