dimethyl 5-[[1-(phenylmethyl)piperidin-4-yl]carbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-(phenylmethyl)piperidin-4-yl]carbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-benzyl-4-piperidyl)carbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[[1-(phenylmethyl)-4-piperidinyl]amino]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-benzylpiperidin-4-yl)carbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-benzyl-4-piperidyl)carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O5/c1-30-21(27)17-12-18(22(28)31-2)14-20(13-17)25-23(29)24-19-8-10-26(11-9-19)15-16-6-4-3-5-7-16/h3-7,12-14,19H,8-11,15H2,1-2H3,(H2,24,25,29)