butyl 4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate

Systemtic Name: butyl 4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate Openeye Name: butyl 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoate CAS Name: 4-(3-formyl-2,5-dimethyl-1-pyrrolyl)benzoic acid butyl ester IUPAC Name: butyl 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid butyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3/c1-4-5-10-22-18(21)15-6-8-17(9-7-15)19-13(2)11-16(12-20)14(19)3/h6-9,11-12H,4-5,10H2,1-3H3