dimethyl 5-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-[(4-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-[(4-bromophenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-[(4-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(4-bromobenzyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H25BrN2O5 MolecularWeight: 489.359

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C23H25BrN2O5/c1-30-22(28)17-11-18(23(29)31-2)13-20(12-17)25-21(27)16-7-9-26(10-8-16)14-15-3-5-19(24)6-4-15/h3-6,11-13,16H,7-10,14H2,1-2H3,(H,25,27)