methyl 6-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]hexanoate

Systemtic Name: methyl 6-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]hexanoate Openeye Name: methyl 6-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)hexanoate CAS Name: 6-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 6-(1-benzyl-2,5-dimethylpyrrol-3-yl)hexanoate Traditional Name: 6-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)hexanoic acid methyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)CCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)CCCCCC(=O)OC

InChI

InChI=1S/C20H27NO2/c1-16-14-19(12-8-5-9-13-20(22)23-3)17(2)21(16)15-18-10-6-4-7-11-18/h4,6-7,10-11,14H,5,8-9,12-13,15H2,1-3H3