2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]-3-phenyl-propionic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C22H27N3O3/c1-16-7-6-10-20(17(16)2)24-11-13-25(14-12-24)22(28)23-19(21(26)27)15-18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H,23,28)(H,26,27)