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

Systemtic Name: 5-azanyl-6-chloranyl-8-[[1-(phenylmethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: 5-amino-8-[(1-benzyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: 5-amino-6-chloro-8-[[1-(phenylmethyl)-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 5-amino-8-[(1-benzylpiperidin-4-yl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: 5-amino-8-[(1-benzyl-4-piperidyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O4/c23-17-11-16(20-21(19(17)24)29-18(13-28-20)22(26)27)10-14-6-8-25(9-7-14)12-15-4-2-1-3-5-15/h1-5,11,14,18H,6-10,12-13,24H2,(H,26,27)