2-[[2-oxidanylidene-6-[4-(4-propylpiperazin-1-yl)phenyl]-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[2-oxidanylidene-6-[4-(4-propylpiperazin-1-yl)phenyl]-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-oxo-6-[4-(4-propylpiperazin-1-yl)phenyl]-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid CAS Name: 2-[[2-oxo-6-[4-(4-propyl-1-piperazinyl)phenyl]-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid IUPAC Name: 2-[[2-oxo-6-[4-(4-propylpiperazin-1-yl)phenyl]-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid Traditional Name: 2-[[2-keto-6-[4-(4-propylpiperazino)phenyl]-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)CNC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C(=O)N3)CNC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H32N4O3/c1-2-14-30-15-17-31(18-16-30)23-11-8-20(9-12-23)24-13-10-22(26(32)29-24)19-28-25(27(33)34)21-6-4-3-5-7-21/h3-13,25,28H,2,14-19H2,1H3,(H,29,32)(H,33,34)