5-azanyl-6-chloranyl-8-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 5-azanyl-6-chloranyl-8-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[[1-(2-cyclohexylethyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[[1-(2-cyclohexylethyl)-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[[1-(2-cyclohexylethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[[1-(2-cyclohexylethyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C23H33ClN2O4 MolecularWeight: 436.97212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CCC(CC2)CC3=CC(=C(C4=C3OCC(O4)C(=O)O)N)Cl

Isomeric SMILES

C1CCC(CC1)CCN2CCC(CC2)CC3=CC(=C(C4=C3OCC(O4)C(=O)O)N)Cl

InChI

InChI=1S/C23H33ClN2O4/c24-18-13-17(21-22(20(18)25)30-19(14-29-21)23(27)28)12-16-7-10-26(11-8-16)9-6-15-4-2-1-3-5-15/h13,15-16,19H,1-12,14,25H2,(H,27,28)