[5-[methyl-[9-[[(2R)-2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]nonyl]amino]-2-bicyclo[2.2.2]octanyl] N-(2-phenylphenyl)carbamate

Systemtic Name: [5-[methyl-[9-[[(2R)-2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]nonyl]amino]-2-bicyclo[2.2.2]octanyl] N-(2-phenylphenyl)carbamate Openeye Name: [5-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl-methyl-amino]-2-bicyclo[2.2.2]octanyl] N-(2-phenylphenyl)carbamate CAS Name: N-(2-phenylphenyl)carbamic acid [5-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl-methylamino]-2-bicyclo[2.2.2]octanyl] ester IUPAC Name: [5-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl-methylamino]-2-bicyclo[2.2.2]octanyl] N-(2-phenylphenyl)carbamate Traditional Name: N-(2-phenylphenyl)carbamic acid [5-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-keto-1H-quinolin-5-yl)ethyl]amino]nonyl-methyl-amino]-2-bicyclo[2.2.2]octanyl] ester Formula: C42H54N4O5 MolecularWeight: 694.90196

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCCCCNCC(C1=C2C=CC(=O)NC2=C(C=C1)O)O)C3CC4CCC3CC4OC(=O)NC5=CC=CC=C5C6=CC=CC=C6

Isomeric SMILES

CN(CCCCCCCCCNC[C@@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)C3CC4CCC3CC4OC(=O)NC5=CC=CC=C5C6=CC=CC=C6

InChI

InChI=1S/C42H54N4O5/c1-46(25-13-6-4-2-3-5-12-24-43-28-38(48)33-20-22-37(47)41-34(33)21-23-40(49)45-41)36-26-31-19-18-30(36)27-39(31)51-42(50)44-35-17-11-10-16-32(35)29-14-8-7-9-15-29/h7-11,14-17,20-23,30-31,36,38-39,43,47-48H,2-6,12-13,18-19,24-28H2,1H3,(H,44,50)(H,45,49)/t30?,31?,36?,38-,39?/m0/s1