1-[5-[[2-[[(2-methylphenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[5-[[2-[[(2-methylphenyl)carbonyl-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[5-[[2-[[(2-methylbenzoyl)-propyl-amino]methyl]pyrrol-1-yl]methyl]furan-2-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[5-[[2-[[[(2-methylphenyl)-oxomethyl]-propylamino]methyl]-1-pyrrolyl]methyl]-2-furanyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[5-[[2-[[(2-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[5-[[2-[[o-toluoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-2-furoyl]isonipecotamide Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CN1CC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)N)C(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCN(CC1=CC=CN1CC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)N)C(=O)C4=CC=CC=C4C

InChI

InChI=1S/C28H34N4O4/c1-3-14-32(27(34)24-9-5-4-7-20(24)2)18-22-8-6-15-31(22)19-23-10-11-25(36-23)28(35)30-16-12-21(13-17-30)26(29)33/h4-11,15,21H,3,12-14,16-19H2,1-2H3,(H2,29,33)