3-[2-(4-acetamidobutanoyl)-5-chloranyl-phenyl]-3-phenyl-propanoic acid

Systemtic Name: 3-[2-(4-acetamidobutanoyl)-5-chloranyl-phenyl]-3-phenyl-propanoic acid Openeye Name: 3-[2-(4-acetamidobutanoyl)-5-chloro-phenyl]-3-phenyl-propanoic acid CAS Name: 3-[2-(4-acetamido-1-oxobutyl)-5-chlorophenyl]-3-phenylpropanoic acid IUPAC Name: 3-[2-(4-acetamidobutanoyl)-5-chlorophenyl]-3-phenylpropanoic acid Traditional Name: 3-[2-(4-acetamidobutanoyl)-5-chloro-phenyl]-3-phenyl-propionic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC(=O)C1=C(C=C(C=C1)Cl)C(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NCCCC(=O)C1=C(C=C(C=C1)Cl)C(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H22ClNO4/c1-14(24)23-11-5-8-20(25)17-10-9-16(22)12-19(17)18(13-21(26)27)15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3,(H,23,24)(H,26,27)