methyl 4-[4-aminocarbonyl-2-butyl-5-methyl-1-(2-piperidin-1-ylethyl)pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-5-methyl-1-(2-piperidin-1-ylethyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-[2-(1-piperidyl)ethyl]pyrrol-3-yl]benzoate CAS Name: 4-[2-butyl-4-carbamoyl-5-methyl-1-[2-(1-piperidinyl)ethyl]-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(2-piperidin-1-ylethyl)pyrrol-3-yl]benzoate Traditional Name: 4-[2-butyl-4-carbamoyl-5-methyl-1-(2-piperidinoethyl)pyrrol-3-yl]benzoic acid methyl ester Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCN2CCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CCN2CCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H35N3O3/c1-4-5-9-21-23(19-10-12-20(13-11-19)25(30)31-3)22(24(26)29)18(2)28(21)17-16-27-14-7-6-8-15-27/h10-13H,4-9,14-17H2,1-3H3,(H2,26,29)