4-oxidanylidene-4-[(phenylmethyl)-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(phenylmethyl)-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methyl]amino]butanoic acid Openeye Name: 4-[benzyl-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(phenylmethyl)-[[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]butanoic acid IUPAC Name: 4-[benzyl-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl-[[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyl]amino]-4-keto-butyric acid Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C(=O)CCC(=O)O

InChI

InChI=1S/C26H24N4O3/c31-24(13-14-25(32)33)29(17-20-8-3-1-4-9-20)18-22-19-30(23-11-5-2-6-12-23)28-26(22)21-10-7-15-27-16-21/h1-12,15-16,19H,13-14,17-18H2,(H,32,33)