(E)-2-[3-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid

Systemtic Name: (E)-2-[3-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (E)-2-[3-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (E)-2-[3-[[(2,5-dimethylanilino)-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (E)-2-[3-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (E)-2-[3-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)NC2=CC=CC(=C2)C(CCC=CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)NC2=CC=CC(=C2)C(CC/C=C/C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C26H27N3O3/c1-18-12-13-19(2)24(15-18)29-26(32)28-22-10-5-9-21(16-22)23(25(30)31)11-4-3-7-20-8-6-14-27-17-20/h3,5-10,12-17,23H,4,11H2,1-2H3,(H,30,31)(H2,28,29,32)/b7-3+