dimethyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylate

Systemtic Name: dimethyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylate Openeye Name: dimethyl 9-[[1-(cyclooctylmethyl)-4-piperidyl]carbamoyl]-9H-xanthene-2,7-dicarboxylate CAS Name: 9-[[[1-(cyclooctylmethyl)-4-piperidinyl]amino]-oxomethyl]-9H-xanthene-2,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2,7-dicarboxylate Traditional Name: 9-[[1-(cyclooctylmethyl)-4-piperidyl]carbamoyl]-9H-xanthene-2,7-dicarboxylic acid dimethyl ester Formula: C32H40N2O6 MolecularWeight: 548.6698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=C(C2C(=O)NC4CCN(CC4)CC5CCCCCCC5)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=C(C2C(=O)NC4CCN(CC4)CC5CCCCCCC5)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C32H40N2O6/c1-38-31(36)22-10-12-27-25(18-22)29(26-19-23(32(37)39-2)11-13-28(26)40-27)30(35)33-24-14-16-34(17-15-24)20-21-8-6-4-3-5-7-9-21/h10-13,18-19,21,24,29H,3-9,14-17,20H2,1-2H3,(H,33,35)