2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methyl-pyridine-4-carboxylic acid Openeye Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methyl-pyridine-4-carboxylic acid CAS Name: 2-[4-(3,3-diphenylpropyl)-1-piperazinyl]-5-methyl-4-pyridinecarboxylic acid IUPAC Name: 2-[4-(3,3-diphenylpropyl)piperazin-1-yl]-5-methylpyridine-4-carboxylic acid Traditional Name: 2-[4-(3,3-diphenylpropyl)piperazino]-5-methyl-isonicotinic acid Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1C(=O)O)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(C=C1C(=O)O)N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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