naphthalene-1,5-disulfonic acid; [1-[9-[[(2R)-2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

Systemtic Name: naphthalene-1,5-disulfonic acid; [1-[9-[[(2R)-2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate Openeye Name: [1-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]-4-piperidyl] N-(2-phenylphenyl)carbamate; naphthalene-1,5-disulfonic acid CAS Name: naphthalene-1,5-disulfonic acid; N-(2-phenylphenyl)carbamic acid [1-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]-4-piperidinyl] ester IUPAC Name: [1-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate; naphthalene-1,5-disulfonic acid Traditional Name: naphthalene-1,5-disulfonic acid; N-(2-phenylphenyl)carbamic acid [1-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-keto-1H-quinolin-5-yl)ethyl]amino]nonyl]-4-piperidyl] ester Formula: C48H56N4O11S2 MolecularWeight: 929.10844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCCCCCCCNCC(C4=C5C=CC(=O)NC5=C(C=C4)O)O.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCCCCCCCNC[C@@H](C4=C5C=CC(=O)NC5=C(C=C4)O)O.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C38H48N4O5.C10H8O6S2/c43-34-19-17-31(32-18-20-36(45)41-37(32)34)35(44)27-39-23-11-4-2-1-3-5-12-24-42-25-21-29(22-26-42)47-38(46)40-33-16-10-9-15-30(33)28-13-7-6-8-14-28;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h6-10,13-20,29,35,39,43-44H,1-5,11-12,21-27H2,(H,40,46)(H,41,45);1-6H,(H,11,12,13)(H,14,15,16)/t35-;/m0./s1