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

Systemtic Name: 5-azanyl-6-chloranyl-3-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2H-1,4-benzodioxine-8-carboxylic acid Openeye Name: 5-amino-6-chloro-3-[1-(cyclohexylmethyl)-4-piperidyl]-3-methyl-2H-1,4-benzodioxine-8-carboxylic acid CAS Name: 5-amino-6-chloro-3-[1-(cyclohexylmethyl)-4-piperidinyl]-3-methyl-2H-1,4-benzodioxin-8-carboxylic acid IUPAC Name: 5-amino-6-chloro-3-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2H-1,4-benzodioxine-8-carboxylic acid Traditional Name: 5-amino-6-chloro-3-[1-(cyclohexylmethyl)-4-piperidyl]-3-methyl-2H-1,4-benzodioxin-8-carboxylic acid Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(O1)C(=C(C=C2C(=O)O)Cl)N)C3CCN(CC3)CC4CCCCC4

Isomeric SMILES

CC1(COC2=C(O1)C(=C(C=C2C(=O)O)Cl)N)C3CCN(CC3)CC4CCCCC4

InChI

InChI=1S/C22H31ClN2O4/c1-22(15-7-9-25(10-8-15)12-14-5-3-2-4-6-14)13-28-19-16(21(26)27)11-17(23)18(24)20(19)29-22/h11,14-15H,2-10,12-13,24H2,1H3,(H,26,27)