1-butylpiperidine-3-carboxylic acid; 6-chloranyl-2,3-dihydro-1,4-benzodioxin-5-amine

Systemtic Name: 1-butylpiperidine-3-carboxylic acid; 6-chloranyl-2,3-dihydro-1,4-benzodioxin-5-amine Openeye Name: 1-butylpiperidine-3-carboxylic acid; 6-chloro-2,3-dihydro-1,4-benzodioxin-5-amine CAS Name: 1-butyl-3-piperidinecarboxylic acid; 6-chloro-2,3-dihydro-1,4-benzodioxin-5-amine IUPAC Name: 1-butylpiperidine-3-carboxylic acid; 6-chloro-2,3-dihydro-1,4-benzodioxin-5-amine Traditional Name: 1-butylnipecotic acid; (6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amine Formula: C18H27ClN2O4 MolecularWeight: 370.87098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCC(C1)C(=O)O.C1COC2=C(O1)C=CC(=C2N)Cl

Isomeric SMILES

CCCCN1CCCC(C1)C(=O)O.C1COC2=C(O1)C=CC(=C2N)Cl

InChI

InChI=1S/C10H19NO2.C8H8ClNO2/c1-2-3-6-11-7-4-5-9(8-11)10(12)13;9-5-1-2-6-8(7(5)10)12-4-3-11-6/h9H,2-8H2,1H3,(H,12,13);1-2H,3-4,10H2