(2E)-2-[(E)-2-[4-(2-phenylphenyl)piperazin-1-yl]-3-pyridin-3-yl-prop-2-enylidene]hexanoic acid

Systemtic Name: (2E)-2-[(E)-2-[4-(2-phenylphenyl)piperazin-1-yl]-3-pyridin-3-yl-prop-2-enylidene]hexanoic acid Openeye Name: (2E)-2-[(E)-2-[4-(2-phenylphenyl)piperazin-1-yl]-3-(3-pyridyl)prop-2-enylidene]hexanoic acid CAS Name: (2E)-2-[(E)-2-[4-(2-phenylphenyl)-1-piperazinyl]-3-(3-pyridinyl)prop-2-enylidene]hexanoic acid IUPAC Name: (2E)-2-[(E)-2-[4-(2-phenylphenyl)piperazin-1-yl]-3-pyridin-3-ylprop-2-enylidene]hexanoic acid Traditional Name: (2E,4E)-2-butyl-4-[4-(2-phenylphenyl)piperazino]-5-(3-pyridyl)penta-2,4-dienoic acid Formula: C30H33N3O2 MolecularWeight: 467.60192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC(=CC1=CN=CC=C1)N2CCN(CC2)C3=CC=CC=C3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC/C(=C\C(=C/C1=CN=CC=C1)\N2CCN(CC2)C3=CC=CC=C3C4=CC=CC=C4)/C(=O)O

InChI

InChI=1S/C30H33N3O2/c1-2-3-11-26(30(34)35)22-27(21-24-10-9-16-31-23-24)32-17-19-33(20-18-32)29-15-8-7-14-28(29)25-12-5-4-6-13-25/h4-10,12-16,21-23H,2-3,11,17-20H2,1H3,(H,34,35)/b26-22+,27-21+