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

Systemtic Name: (phenylmethyl) 7-bromanyl-9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C36H41BrN2O4 MolecularWeight: 645.62574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CN2CCC(CC2)NC(=O)C3C4=C(C=CC(=C4)C(=O)OCC5=CC=CC=C5)OC6=C3C=C(C=C6)Br

Isomeric SMILES

C1CCCC(CCC1)CN2CCC(CC2)NC(=O)C3C4=C(C=CC(=C4)C(=O)OCC5=CC=CC=C5)OC6=C3C=C(C=C6)Br

InChI

InChI=1S/C36H41BrN2O4/c37-28-14-16-33-31(22-28)34(30-21-27(13-15-32(30)43-33)36(41)42-24-26-11-7-4-8-12-26)35(40)38-29-17-19-39(20-18-29)23-25-9-5-2-1-3-6-10-25/h4,7-8,11-16,21-22,25,29,34H,1-3,5-6,9-10,17-20,23-24H2,(H,38,40)