4-[(3,4-dichlorophenyl)methoxy]-1-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-[(3,4-dichlorophenyl)methoxy]-1-methyl-5-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-pyrrole-3-carboxylic acid Openeye Name: 4-[(3,4-dichlorophenyl)methoxy]-1-methyl-5-[4-(1-piperidyl)piperidine-1-carbonyl]pyrrole-3-carboxylic acid CAS Name: 4-[(3,4-dichlorophenyl)methoxy]-1-methyl-5-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-[(3,4-dichlorophenyl)methoxy]-1-methyl-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrole-3-carboxylic acid Traditional Name: 4-(3,4-dichlorobenzyl)oxy-1-methyl-5-(4-piperidinopiperidine-1-carbonyl)pyrrole-3-carboxylic acid Formula: C24H29Cl2N3O4 MolecularWeight: 494.41076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C(=O)N2CCC(CC2)N3CCCCC3)OCC4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

CN1C=C(C(=C1C(=O)N2CCC(CC2)N3CCCCC3)OCC4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C24H29Cl2N3O4/c1-27-14-18(24(31)32)22(33-15-16-5-6-19(25)20(26)13-16)21(27)23(30)29-11-7-17(8-12-29)28-9-3-2-4-10-28/h5-6,13-14,17H,2-4,7-12,15H2,1H3,(H,31,32)