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

Systemtic Name: 2-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]cyclohexyl]acetic acid CAS Name: 2-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]cyclohexyl]acetic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)O

InChI

InChI=1S/C17H21NO5/c19-15(9-17(10-16(20)21)6-2-1-3-7-17)18-12-4-5-13-14(8-12)23-11-22-13/h4-5,8H,1-3,6-7,9-11H2,(H,18,19)(H,20,21)