2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-methyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-methyl-pyridine-4-carboxylic acid Openeye Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-methyl-pyridine-4-carboxylic acid CAS Name: 2-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3-methyl-4-pyridinecarboxylic acid IUPAC Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-methylpyridine-4-carboxylic acid Traditional Name: 2-[4-(3,3-diphenylpropyl)piperazino]-3-methyl-isonicotinic acid Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H29N3O2/c1-20-23(26(30)31)12-14-27-25(20)29-18-16-28(17-19-29)15-13-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-12,14,24H,13,15-19H2,1H3,(H,30,31)