2-[5-(4-chlorophenyl)-2-(2-methylprop-2-enoylamino)phenyl]pentanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)-2-(2-methylprop-2-enoylamino)phenyl]pentanoic acid Openeye Name: 2-[5-(4-chlorophenyl)-2-(2-methylprop-2-enoylamino)phenyl]pentanoic acid CAS Name: 2-[5-(4-chlorophenyl)-2-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl]pentanoic acid IUPAC Name: 2-[5-(4-chlorophenyl)-2-(2-methylprop-2-enoylamino)phenyl]pentanoic acid Traditional Name: 2-[5-(4-chlorophenyl)-2-methacrylamido-phenyl]valeric acid Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)NC(=O)C(=C)C)C(=O)O

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)C2=CC=C(C=C2)Cl)NC(=O)C(=C)C)C(=O)O

InChI

InChI=1S/C21H22ClNO3/c1-4-5-17(21(25)26)18-12-15(14-6-9-16(22)10-7-14)8-11-19(18)23-20(24)13(2)3/h6-12,17H,2,4-5H2,1,3H3,(H,23,24)(H,25,26)