4-azanylbenzoic acid; ethyl 1-cyclohexyl-4-oxidanyl-piperidine-3-carboxylate; dihydrochloride

Systemtic Name: 4-azanylbenzoic acid; ethyl 1-cyclohexyl-4-oxidanyl-piperidine-3-carboxylate; dihydrochloride Openeye Name: 4-aminobenzoic acid; ethyl 1-cyclohexyl-4-hydroxy-piperidine-3-carboxylate; dihydrochloride CAS Name: 4-aminobenzoic acid; 1-cyclohexyl-4-hydroxy-3-piperidinecarboxylic acid ethyl ester; dihydrochloride IUPAC Name: 4-aminobenzoic acid; ethyl 1-cyclohexyl-4-hydroxypiperidine-3-carboxylate; dihydrochloride Traditional Name: 4-aminobenzoic acid; 1-cyclohexyl-4-hydroxy-nipecotic acid ethyl ester; dihydrochloride Formula: C21H34Cl2N2O5 MolecularWeight: 465.41106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1O)C2CCCCC2.C1=CC(=CC=C1C(=O)O)N.Cl.Cl

Isomeric SMILES

CCOC(=O)C1CN(CCC1O)C2CCCCC2.C1=CC(=CC=C1C(=O)O)N.Cl.Cl

InChI

InChI=1S/C14H25NO3.C7H7NO2.2ClH/c1-2-18-14(17)12-10-15(9-8-13(12)16)11-6-4-3-5-7-11;8-6-3-1-5(2-4-6)7(9)10;;/h11-13,16H,2-10H2,1H3;1-4H,8H2,(H,9,10);2*1H