4-azanylbenzoic acid; ethyl 1-(3-methylbutyl)-4-oxidanyl-piperidine-3-carboxylate; hydrochloride

Systemtic Name: 4-azanylbenzoic acid; ethyl 1-(3-methylbutyl)-4-oxidanyl-piperidine-3-carboxylate; hydrochloride Openeye Name: 4-aminobenzoic acid; ethyl 4-hydroxy-1-isopentyl-piperidine-3-carboxylate; hydrochloride CAS Name: 4-aminobenzoic acid; 4-hydroxy-1-(3-methylbutyl)-3-piperidinecarboxylic acid ethyl ester; hydrochloride IUPAC Name: 4-aminobenzoic acid; ethyl 4-hydroxy-1-(3-methylbutyl)piperidine-3-carboxylate; hydrochloride Traditional Name: 4-aminobenzoic acid; 4-hydroxy-1-isoamyl-nipecotic acid ethyl ester; hydrochloride Formula: C20H33ClN2O5 MolecularWeight: 416.93942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO3.C7H7NO2.ClH/c1-4-17-13(16)11-9-14(7-5-10(2)3)8-6-12(11)15;8-6-3-1-5(2-4-6)7(9)10;/h10-12,15H,4-9H2,1-3H3;1-4H,8H2,(H,9,10);1H