9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylic acid

Systemtic Name: 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylic acid Openeye Name: 9-[[1-(cyclooctylmethyl)-4-piperidyl]carbamoyl]-9H-xanthene-2-carboxylic acid CAS Name: 9-[[[1-(cyclooctylmethyl)-4-piperidinyl]amino]-oxomethyl]-9H-xanthene-2-carboxylic acid IUPAC Name: 9-[[1-(cyclooctylmethyl)piperidin-4-yl]carbamoyl]-9H-xanthene-2-carboxylic acid Traditional Name: 9-[[1-(cyclooctylmethyl)-4-piperidyl]carbamoyl]-9H-xanthene-2-carboxylic acid Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CN2CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=C3C=C(C=C5)C(=O)O

Isomeric SMILES

C1CCCC(CCC1)CN2CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=C3C=C(C=C5)C(=O)O

InChI

InChI=1S/C29H36N2O4/c32-28(30-22-14-16-31(17-15-22)19-20-8-4-2-1-3-5-9-20)27-23-10-6-7-11-25(23)35-26-13-12-21(29(33)34)18-24(26)27/h6-7,10-13,18,20,22,27H,1-5,8-9,14-17,19H2,(H,30,32)(H,33,34)