2-[[2-benzamido-3-[3-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-benzamido-3-[3-[1-(2-ethoxy-2-oxidanylidene-ethyl)pyridin-1-ium-3-yl]-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[2-benzamido-3-[3-[1-(2-ethoxy-2-oxo-ethyl)pyridin-1-ium-3-yl]-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[2-benzamido-3-[3-[1-(2-ethoxy-2-oxoethyl)-3-pyridin-1-iumyl]-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[2-benzamido-3-[3-[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-3-yl]-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[2-benzamido-3-[3-[1-(2-ethoxy-2-keto-ethyl)pyridin-1-ium-3-yl]-1-phenyl-pyrazol-4-yl]acryloyl]amino]hexanoic acid Formula: C34H36N5O6+ MolecularWeight: 610.67954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(=CC1=CN(N=C1C2=C[N+](=CC=C2)CC(=O)OCC)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(=CC1=CN(N=C1C2=C[N+](=CC=C2)CC(=O)OCC)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C34H35N5O6/c1-3-5-18-28(34(43)44)35-33(42)29(36-32(41)24-13-8-6-9-14-24)20-26-22-39(27-16-10-7-11-17-27)37-31(26)25-15-12-19-38(21-25)23-30(40)45-4-2/h6-17,19-22,28H,3-5,18,23H2,1-2H3,(H2-,35,36,41,42,43,44)/p+1