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

Systemtic Name: 5-azanyl-6-chloranyl-8-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-6-chloro-8-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[[1-(3-pyridinylmethyl)-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-6-chloro-8-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-6-chloro-8-[[1-(3-pyridylmethyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl)CC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC(=C(C3=C2OCC(O3)C(=O)O)N)Cl)CC4=CN=CC=C4

InChI

InChI=1S/C21H24ClN3O4/c22-16-9-15(19-20(18(16)23)29-17(12-28-19)21(26)27)8-13-3-6-25(7-4-13)11-14-2-1-5-24-10-14/h1-2,5,9-10,13,17H,3-4,6-8,11-12,23H2,(H,26,27)