[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3)C

InChI

InChI=1S/C21H26N2O3/c1-15-10-16(2)13-23(12-15)20(24)14-26-21(25)18-7-6-17(3)19(11-18)22-8-4-5-9-22/h4-9,11,15-16H,10,12-14H2,1-3H3