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

Systemtic Name: (Z)-6-[3-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-6-pyridin-3-yl-hex-5-enoic acid Openeye Name: (Z)-6-[3-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-6-(3-pyridyl)hex-5-enoic acid CAS Name: (Z)-6-[3-[[(2,5-dimethylanilino)-oxomethyl]amino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid IUPAC Name: (Z)-6-[3-[(2,5-dimethylphenyl)carbamoylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid Traditional Name: (Z)-6-[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(=CCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3/c1-18-12-13-19(2)24(15-18)29-26(32)28-22-9-5-7-20(16-22)23(10-3-4-11-25(30)31)21-8-6-14-27-17-21/h5-10,12-17H,3-4,11H2,1-2H3,(H,30,31)(H2,28,29,32)/b23-10-