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

Systemtic Name: dimethyl 5-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(1-naphthylmethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[1-(1-naphthalenylmethyl)-4-piperidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(1-naphthylmethyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C27H28N2O5/c1-33-26(31)21-14-22(27(32)34-2)16-23(15-21)28-25(30)19-10-12-29(13-11-19)17-20-8-5-7-18-6-3-4-9-24(18)20/h3-9,14-16,19H,10-13,17H2,1-2H3,(H,28,30)