3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[(3-cyano-2,2,3-trimethyl-cyclopentyl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-[[2,6-bis(chloranyl)phenyl]carbonylamino]phenyl]-2-[(3-cyano-2,2,3-trimethyl-cyclopentyl)carbonylamino]propanoic acid Openeye Name: 2-[(3-cyano-2,2,3-trimethyl-cyclopentanecarbonyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid CAS Name: 2-[[(3-cyano-2,2,3-trimethylcyclopentyl)-oxomethyl]amino]-3-[4-[[(2,6-dichlorophenyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-[(3-cyano-2,2,3-trimethylcyclopentanecarbonyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid Traditional Name: 2-[(3-cyano-2,2,3-trimethyl-cyclopentanecarbonyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propionic acid Formula: C26H27Cl2N3O4 MolecularWeight: 516.41628

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C#N)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O)C

Isomeric SMILES

CC1(C(CCC1(C)C#N)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O)C

InChI

InChI=1S/C26H27Cl2N3O4/c1-25(2)17(11-12-26(25,3)14-29)22(32)31-20(24(34)35)13-15-7-9-16(10-8-15)30-23(33)21-18(27)5-4-6-19(21)28/h4-10,17,20H,11-13H2,1-3H3,(H,30,33)(H,31,32)(H,34,35)