2-[butan-2-yl-(3,5-dimethylphenyl)carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[butan-2-yl-(3,5-dimethylphenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3,5-dimethylbenzoyl)-sec-butyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[butan-2-yl-[(3,5-dimethylphenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3,5-dimethylbenzoyl)-sec-butyl-amino]-3-phenyl-propionic acid Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC(C)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H27NO3/c1-5-17(4)23(21(24)19-12-15(2)11-16(3)13-19)20(22(25)26)14-18-9-7-6-8-10-18/h6-13,17,20H,5,14H2,1-4H3,(H,25,26)