2-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]cyclohexyl]acetic acid CAS Name: 2-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[2-keto-2-(piperonylamino)ethyl]cyclohexyl]acetic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NCC2=CC3=C(C=C2)OCO3)CC(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NCC2=CC3=C(C=C2)OCO3)CC(=O)O

InChI

InChI=1S/C18H23NO5/c20-16(9-18(10-17(21)22)6-2-1-3-7-18)19-11-13-4-5-14-15(8-13)24-12-23-14/h4-5,8H,1-3,6-7,9-12H2,(H,19,20)(H,21,22)