ethanesulfonic acid; ethyl 4-phenyl-1-(3-phenylazanylpropyl)piperidine-4-carboxylate

Systemtic Name: ethanesulfonic acid; ethyl 4-phenyl-1-(3-phenylazanylpropyl)piperidine-4-carboxylate Openeye Name: ethanesulfonic acid; ethyl 1-(3-anilinopropyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(3-anilinopropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester; ethanesulfonic acid IUPAC Name: ethanesulfonic acid; ethyl 1-(3-anilinopropyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(3-anilinopropyl)-4-phenyl-isonipecotic acid ethyl ester; esylic acid Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCNC2=CC=CC=C2)C3=CC=CC=C3.CCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCNC2=CC=CC=C2)C3=CC=CC=C3.CCS(=O)(=O)O

InChI

InChI=1S/C23H30N2O2.C2H6O3S/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21;1-2-6(3,4)5/h3-8,10-13,24H,2,9,14-19H2,1H3;2H2,1H3,(H,3,4,5)