4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-[4-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]butyl]piperazine-1-carbonyl]benzoic acid CAS Name: 4-[oxo-[4-[4-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]butyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-[4-[[(E)-3-(3-pyridyl)acryloyl]amino]butyl]piperazine-1-carbonyl]benzoic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H28N4O4/c29-22(10-5-19-4-3-11-25-18-19)26-12-1-2-13-27-14-16-28(17-15-27)23(30)20-6-8-21(9-7-20)24(31)32/h3-11,18H,1-2,12-17H2,(H,26,29)(H,31,32)/b10-5+