methyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-7-(hydroxymethyl)-9H-xanthene-2-carboxylate

Systemtic Name: methyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-7-(hydroxymethyl)-9H-xanthene-2-carboxylate Openeye Name: methyl 9-[[1-(cyclooctylmethyl)-4-piperidyl]carbamoyl]-7-(hydroxymethyl)-9H-xanthene-2-carboxylate CAS Name: 9-[[[1-(cyclooctylmethyl)-4-piperidinyl]amino]-oxomethyl]-7-(hydroxymethyl)-9H-xanthene-2-carboxylic acid methyl ester IUPAC Name: methyl 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-7-(hydroxymethyl)-9H-xanthene-2-carboxylate Traditional Name: 9-[[1-(cyclooctylmethyl)-4-piperidyl]carbamoyl]-7-methylol-9H-xanthene-2-carboxylic acid methyl ester Formula: C31H40N2O5 MolecularWeight: 520.6597

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O5/c1-37-31(36)23-10-12-28-26(18-23)29(25-17-22(20-34)9-11-27(25)38-28)30(35)32-24-13-15-33(16-14-24)19-21-7-5-3-2-4-6-8-21/h9-12,17-18,21,24,29,34H,2-8,13-16,19-20H2,1H3,(H,32,35)