3-[4-cyano-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-cyano-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-cyano-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-cyano-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-cyano-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-cyano-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propionic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)C#N)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)C#N)CCC(=O)O

InChI

InChI=1S/C22H24N2O3/c1-15(2)12-20(18-6-4-3-5-7-18)24-22(27)19-13-16(14-23)8-9-17(19)10-11-21(25)26/h3-9,13,15,20H,10-12H2,1-2H3,(H,24,27)(H,25,26)