2-[2-[(2-cyclohexyl-2-oxidanyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 2-[2-[(2-cyclohexyl-2-oxidanyl-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 2-[2-[(2-cyclohexyl-2-hydroxy-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 2-[2-[(2-cyclohexyl-2-hydroxyethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 2-[2-[(2-cyclohexyl-2-hydroxyethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 2-[2-[(2-cyclohexyl-2-hydroxy-ethyl)amino]propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C20H29NO5 MolecularWeight: 363.44796

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(OC2=CC=CC=C2O1)C(=O)O)NCC(C3CCCCC3)O

Isomeric SMILES

CC(CC1C(OC2=CC=CC=C2O1)C(=O)O)NCC(C3CCCCC3)O

InChI

InChI=1S/C20H29NO5/c1-13(21-12-15(22)14-7-3-2-4-8-14)11-18-19(20(23)24)26-17-10-6-5-9-16(17)25-18/h5-6,9-10,13-15,18-19,21-22H,2-4,7-8,11-12H2,1H3,(H,23,24)