4-[(6-azanyl-1,3-benzodioxol-5-yl)methylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(6-azanyl-1,3-benzodioxol-5-yl)methylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[(6-amino-1,3-benzodioxol-5-yl)methylamino]cyclohexanecarboxylic acid CAS Name: 4-[(6-amino-1,3-benzodioxol-5-yl)methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(6-amino-1,3-benzodioxol-5-yl)methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[(6-amino-1,3-benzodioxol-5-yl)methylamino]cyclohexanecarboxylic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NCC2=CC3=C(C=C2N)OCO3

Isomeric SMILES

C1CC(CCC1C(=O)O)NCC2=CC3=C(C=C2N)OCO3

InChI

InChI=1S/C15H20N2O4/c16-12-6-14-13(20-8-21-14)5-10(12)7-17-11-3-1-9(2-4-11)15(18)19/h5-6,9,11,17H,1-4,7-8,16H2,(H,18,19)