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

Systemtic Name: 4,5-dimethyl-3-[3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[3-(4-hydroxy-4-phenyl-1-piperidyl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[3-(4-hydroxy-4-phenyl-piperidino)propoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1OCCCN2CCC(CC2)(C3=CC=CC=C3)O)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=C1OCCCN2CCC(CC2)(C3=CC=CC=C3)O)C(=O)O)C

InChI

InChI=1S/C21H28N2O4/c1-15-16(2)22-18(20(24)25)19(15)27-14-6-11-23-12-9-21(26,10-13-23)17-7-4-3-5-8-17/h3-5,7-8,22,26H,6,9-14H2,1-2H3,(H,24,25)