2-[[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]anilino)acetic acid CAS Name: 2-(N-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid Traditional Name: 2-(N-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]anilino)acetic acid Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN(CC(=O)O)C3=CC=CC=C3

InChI

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