2-[[2-benzamido-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-benzamido-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]butanedioic acid Openeye Name: 2-[[2-benzamido-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]butanedioic acid CAS Name: 2-[[2-benzamido-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]butanedioic acid IUPAC Name: 2-[[2-benzamido-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]butanedioic acid Traditional Name: 2-[[2-benzamido-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]succinic acid Formula: C28H23N5O6 MolecularWeight: 525.51212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N5O6/c34-24(35)15-23(28(38)39)31-27(37)22(30-26(36)18-8-3-1-4-9-18)14-20-17-33(21-11-5-2-6-12-21)32-25(20)19-10-7-13-29-16-19/h1-14,16-17,23H,15H2,(H,30,36)(H,31,37)(H,34,35)(H,38,39)