methyl 9-[[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate

Systemtic Name: methyl 9-[[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate Openeye Name: methyl 9-[[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]carbamoyl]-9H-xanthene-2-carboxylate CAS Name: 9-[[[1-[[(1E)-1-cyclononenyl]methyl]-4-piperidinyl]amino]-oxomethyl]-9H-xanthene-2-carboxylic acid methyl ester IUPAC Name: methyl 9-[[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate Traditional Name: 9-[[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]carbamoyl]-9H-xanthene-2-carboxylic acid methyl ester Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C(=O)NC4CCN(CC4)CC5=CCCCCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C(=O)NC4CCN(CC4)C/C/5=C/CCCCCCC5

InChI

InChI=1S/C31H38N2O4/c1-36-31(35)23-14-15-28-26(20-23)29(25-12-8-9-13-27(25)37-28)30(34)32-24-16-18-33(19-17-24)21-22-10-6-4-2-3-5-7-11-22/h8-10,12-15,20,24,29H,2-7,11,16-19,21H2,1H3,(H,32,34)/b22-10+