5-azanyl-6-chloranyl-8-[(1-phenethylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: 5-azanyl-6-chloranyl-8-[(1-phenethylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 5-amino-6-chloro-8-[(1-phenethyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 5-amino-6-chloro-8-[(1-phenethyl-4-piperidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: 5-amino-6-chloro-8-[(1-phenethylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 5-amino-6-chloro-8-[(1-phenethyl-4-piperidyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C23H26ClN2O4- MolecularWeight: 429.91654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC(=C(C3=C2OCC(O3)C(=O)[O-])N)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C23H27ClN2O4/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/h1-5,13,16,19H,6-12,14,25H2,(H,27,28)/p-1