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

Systemtic Name: 5-azanyl-6-chloranyl-8-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: 5-amino-6-chloro-8-[[1-(p-tolylmethyl)-4-piperidyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 5-amino-6-chloro-8-[[1-[(4-methylphenyl)methyl]-4-piperidinyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: 5-amino-6-chloro-8-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 5-amino-6-chloro-8-[[1-(4-methylbenzyl)-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:

CC1=CC=C(C=C1)CN2CCC(CC2)CC3=CC(=C(C4=C3OCC(O4)C(=O)[O-])N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCC(CC2)CC3=CC(=C(C4=C3OCC(O4)C(=O)[O-])N)Cl

InChI

InChI=1S/C23H27ClN2O4/c1-14-2-4-16(5-3-14)12-26-8-6-15(7-9-26)10-17-11-18(24)20(25)22-21(17)29-13-19(30-22)23(27)28/h2-5,11,15,19H,6-10,12-13,25H2,1H3,(H,27,28)/p-1