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

Systemtic Name: 4-azanylbenzoic acid; ethyl 4-oxidanyl-1-phenethyl-piperidine-3-carboxylate; dihydrochloride Openeye Name: 4-aminobenzoic acid; ethyl 4-hydroxy-1-phenethyl-piperidine-3-carboxylate; dihydrochloride CAS Name: 4-aminobenzoic acid; 4-hydroxy-1-phenethyl-3-piperidinecarboxylic acid ethyl ester; dihydrochloride IUPAC Name: 4-aminobenzoic acid; ethyl 4-hydroxy-1-phenethylpiperidine-3-carboxylate; dihydrochloride Traditional Name: 4-aminobenzoic acid; 4-hydroxy-1-phenethyl-nipecotic acid ethyl ester; dihydrochloride Formula: C23H32Cl2N2O5 MolecularWeight: 487.41658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCC1O)CCC2=CC=CC=C2.C1=CC(=CC=C1C(=O)O)N.Cl.Cl

Isomeric SMILES

CCOC(=O)C1CN(CCC1O)CCC2=CC=CC=C2.C1=CC(=CC=C1C(=O)O)N.Cl.Cl

InChI

InChI=1S/C16H23NO3.C7H7NO2.2ClH/c1-2-20-16(19)14-12-17(11-9-15(14)18)10-8-13-6-4-3-5-7-13;8-6-3-1-5(2-4-6)7(9)10;;/h3-7,14-15,18H,2,8-12H2,1H3;1-4H,8H2,(H,9,10);2*1H