2-ethoxy-4-[2-oxidanylidene-2-[(2-phenyl-1-piperidin-1-yl-butyl)amino]ethyl]benzoic acid

Systemtic Name: 2-ethoxy-4-[2-oxidanylidene-2-[(2-phenyl-1-piperidin-1-yl-butyl)amino]ethyl]benzoic acid Openeye Name: 2-ethoxy-4-[2-oxo-2-[[2-phenyl-1-(1-piperidyl)butyl]amino]ethyl]benzoic acid CAS Name: 2-ethoxy-4-[2-oxo-2-[[2-phenyl-1-(1-piperidinyl)butyl]amino]ethyl]benzoic acid IUPAC Name: 2-ethoxy-4-[2-oxo-2-[(2-phenyl-1-piperidin-1-ylbutyl)amino]ethyl]benzoic acid Traditional Name: 2-ethoxy-4-[2-keto-2-[(2-phenyl-1-piperidino-butyl)amino]ethyl]benzoic acid Formula: C26H34N2O4 MolecularWeight: 438.55916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(NC(=O)CC2=CC(=C(C=C2)C(=O)O)OCC)N3CCCCC3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(NC(=O)CC2=CC(=C(C=C2)C(=O)O)OCC)N3CCCCC3

InChI

InChI=1S/C26H34N2O4/c1-3-21(20-11-7-5-8-12-20)25(28-15-9-6-10-16-28)27-24(29)18-19-13-14-22(26(30)31)23(17-19)32-4-2/h5,7-8,11-14,17,21,25H,3-4,6,9-10,15-16,18H2,1-2H3,(H,27,29)(H,30,31)