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

Systemtic Name: octyl 4-(3-methanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate Openeye Name: octyl 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoate CAS Name: 4-(3-formyl-2,5-dimethyl-1-pyrrolyl)benzoic acid octyl ester IUPAC Name: octyl 4-(3-formyl-2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(3-formyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid octyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-4-5-6-7-8-9-14-26-22(25)19-10-12-21(13-11-19)23-17(2)15-20(16-24)18(23)3/h10-13,15-16H,4-9,14H2,1-3H3