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

Systemtic Name: 4,5-dimethyl-3-[3-(4-phenylpiperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 4,5-dimethyl-3-[3-(4-phenyl-1-piperidyl)propoxy]-1H-pyrrole-2-carboxylic acid CAS Name: 4,5-dimethyl-3-[3-(4-phenyl-1-piperidinyl)propoxy]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4,5-dimethyl-3-[3-(4-phenylpiperidin-1-yl)propoxy]-1H-pyrrole-2-carboxylic acid Traditional Name: 4,5-dimethyl-3-[3-(4-phenylpiperidino)propoxy]-1H-pyrrole-2-carboxylic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-15-16(2)22-19(21(24)25)20(15)26-14-6-11-23-12-9-18(10-13-23)17-7-4-3-5-8-17/h3-5,7-8,18,22H,6,9-14H2,1-2H3,(H,24,25)