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

Systemtic Name: 4,5-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butoxy]-1H-pyrrole-2-carboxylic acid Openeye Name: 4,5-dimethyl-3-[4-(4-phenyl-1-piperidyl)butoxy]-1H-pyrrole-2-carboxylic acid CAS Name: 4,5-dimethyl-3-[4-(4-phenyl-1-piperidinyl)butoxy]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4,5-dimethyl-3-[4-(4-phenylpiperidin-1-yl)butoxy]-1H-pyrrole-2-carboxylic acid Traditional Name: 4,5-dimethyl-3-[4-(4-phenylpiperidino)butoxy]-1H-pyrrole-2-carboxylic acid Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-16-17(2)23-20(22(25)26)21(16)27-15-7-6-12-24-13-10-19(11-14-24)18-8-4-3-5-9-18/h3-5,8-9,19,23H,6-7,10-15H2,1-2H3,(H,25,26)