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

Systemtic Name: 4,5-dimethyl-3-[4-(4-oxidanyl-4-phenyl-piperidin-1-yl)butoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 3-[4-(4-hydroxy-4-phenyl-1-piperidyl)butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 3-[4-(4-hydroxy-4-phenyl-1-piperidinyl)butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-[4-(4-hydroxy-4-phenylpiperidin-1-yl)butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-[4-(4-hydroxy-4-phenyl-piperidino)butoxy]-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-16-17(2)23-19(21(25)26)20(16)28-15-7-6-12-24-13-10-22(27,11-14-24)18-8-4-3-5-9-18/h3-5,8-9,23,27H,6-7,10-15H2,1-2H3,(H,25,26)