2-[(4-cyanophenyl)amino]-2-(3-ethoxy-5-piperidin-4-yloxy-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-ethoxy-5-piperidin-4-yloxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(4-piperidyloxy)phenyl]acetate hydrochloride CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(4-piperidinyloxy)phenyl]acetate hydrochloride IUPAC Name: 2-(4-cyanoanilino)-2-(3-ethoxy-5-piperidin-4-yloxyphenyl)acetate hydrochloride Traditional Name: 2-(4-cyanoanilino)-2-[3-ethoxy-5-(4-piperidyloxy)phenyl]acetate hydrochloride Formula: C22H25ClN3O4- MolecularWeight: 430.9046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OC2CCNCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C#N.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)OC2CCNCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C#N.Cl

InChI

InChI=1S/C22H25N3O4.ClH/c1-2-28-19-11-16(12-20(13-19)29-18-7-9-24-10-8-18)21(22(26)27)25-17-5-3-15(14-23)4-6-17;/h3-6,11-13,18,21,24-25H,2,7-10H2,1H3,(H,26,27);1H/p-1