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

Systemtic Name: methyl 7-bromanyl-9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate Openeye Name: methyl 7-bromo-9-[[1-(cyclooctylmethyl)-4-piperidyl]carbamoyl]-9H-xanthene-2-carboxylate CAS Name: 7-bromo-9-[[[1-(cyclooctylmethyl)-4-piperidinyl]amino]-oxomethyl]-9H-xanthene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate Traditional Name: 7-bromo-9-[[1-(cyclooctylmethyl)-4-piperidyl]carbamoyl]-9H-xanthene-2-carboxylic acid methyl ester Formula: C30H37BrN2O4 MolecularWeight: 569.52978

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C30H37BrN2O4/c1-36-30(35)21-9-11-26-24(17-21)28(25-18-22(31)10-12-27(25)37-26)29(34)32-23-13-15-33(16-14-23)19-20-7-5-3-2-4-6-8-20/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3,(H,32,34)