4,5-dimethyl-3-[4-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)butoxy]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4,5-dimethyl-3-[4-(4-oxidanyl-4-pyridin-2-yl-piperidin-1-yl)butoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[4-[4-hydroxy-4-(2-pyridyl)-1-piperidyl]butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[4-[4-hydroxy-4-(2-pyridinyl)-1-piperidinyl]butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[4-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[4-[4-hydroxy-4-(2-pyridyl)piperidino]butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1OCCCCN2CCC(CC2)(C3=CC=CC=N3)O)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=C1OCCCCN2CCC(CC2)(C3=CC=CC=N3)O)C(=O)O)C

InChI

InChI=1S/C21H29N3O4/c1-15-16(2)23-18(20(25)26)19(15)28-14-6-5-11-24-12-8-21(27,9-13-24)17-7-3-4-10-22-17/h3-4,7,10,23,27H,5-6,8-9,11-14H2,1-2H3,(H,25,26)