2-ethyl-4-[[6-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1,3-benzodioxol-5-yl]carbamoylamino]benzoate

Systemtic Name: 2-ethyl-4-[[6-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1,3-benzodioxol-5-yl]carbamoylamino]benzoate Openeye Name: 4-[[6-[(4-benzyl-1-piperidyl)methyl]-1,3-benzodioxol-5-yl]carbamoylamino]-2-ethyl-benzoate CAS Name: 2-ethyl-4-[[oxo-[[6-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1,3-benzodioxol-5-yl]amino]methyl]amino]benzoate IUPAC Name: 4-[[6-[(4-benzylpiperidin-1-yl)methyl]-1,3-benzodioxol-5-yl]carbamoylamino]-2-ethylbenzoate Traditional Name: 4-[[6-[(4-benzylpiperidino)methyl]-1,3-benzodioxol-5-yl]carbamoylamino]-2-ethyl-benzoate Formula: C30H32N3O5- MolecularWeight: 514.59218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC(=O)NC2=CC3=C(C=C2CN4CCC(CC4)CC5=CC=CC=C5)OCO3)C(=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)NC(=O)NC2=CC3=C(C=C2CN4CCC(CC4)CC5=CC=CC=C5)OCO3)C(=O)[O-]

InChI

InChI=1S/C30H33N3O5/c1-2-22-15-24(8-9-25(22)29(34)35)31-30(36)32-26-17-28-27(37-19-38-28)16-23(26)18-33-12-10-21(11-13-33)14-20-6-4-3-5-7-20/h3-9,15-17,21H,2,10-14,18-19H2,1H3,(H,34,35)(H2,31,32,36)/p-1