4-azanylbenzoic acid; ethyl 1-methyl-4-oxidanyl-piperidine-3-carboxylate; hydrochloride

Systemtic Name: 4-azanylbenzoic acid; ethyl 1-methyl-4-oxidanyl-piperidine-3-carboxylate; hydrochloride Openeye Name: 4-aminobenzoic acid; ethyl 4-hydroxy-1-methyl-piperidine-3-carboxylate; hydrochloride CAS Name: 4-aminobenzoic acid; 4-hydroxy-1-methyl-3-piperidinecarboxylic acid ethyl ester; hydrochloride IUPAC Name: 4-aminobenzoic acid; ethyl 4-hydroxy-1-methylpiperidine-3-carboxylate; hydrochloride Traditional Name: 4-aminobenzoic acid; 4-hydroxy-1-methyl-nipecotic acid ethyl ester; hydrochloride Formula: C16H25ClN2O5 MolecularWeight: 360.8331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO3.C7H7NO2.ClH/c1-3-13-9(12)7-6-10(2)5-4-8(7)11;8-6-3-1-5(2-4-6)7(9)10;/h7-8,11H,3-6H2,1-2H3;1-4H,8H2,(H,9,10);1H