ethanesulfonic acid; ethyl 4-phenyl-1-(2-phenylazanylethyl)piperidine-4-carboxylate

Systemtic Name: ethanesulfonic acid; ethyl 4-phenyl-1-(2-phenylazanylethyl)piperidine-4-carboxylate Openeye Name: ethanesulfonic acid; ethyl 1-(2-anilinoethyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(2-anilinoethyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester; ethanesulfonic acid IUPAC Name: ethanesulfonic acid; ethyl 1-(2-anilinoethyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(2-anilinoethyl)-4-phenyl-isonipecotic acid ethyl ester; esylic acid Formula: C24H34N2O5S MolecularWeight: 462.60216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCNC2=CC=CC=C2)C3=CC=CC=C3.CCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCNC2=CC=CC=C2)C3=CC=CC=C3.CCS(=O)(=O)O

InChI

InChI=1S/C22H28N2O2.C2H6O3S/c1-2-26-21(25)22(19-9-5-3-6-10-19)13-16-24(17-14-22)18-15-23-20-11-7-4-8-12-20;1-2-6(3,4)5/h3-12,23H,2,13-18H2,1H3;2H2,1H3,(H,3,4,5)