[4-oxidanyl-3-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenyl]methyl 1-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [4-oxidanyl-3-[1-oxidanyl-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenyl]methyl 1-oxidanylnaphthalene-2-carboxylate Openeye Name: [4-hydroxy-3-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenyl]methyl 1-hydroxynaphthalene-2-carboxylate CAS Name: 1-hydroxy-2-naphthalenecarboxylic acid [4-hydroxy-3-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenyl]methyl ester IUPAC Name: [4-hydroxy-3-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenyl]methyl 1-hydroxynaphthalene-2-carboxylate Traditional Name: 1-hydroxynaphthalene-2-carboxylic acid [4-hydroxy-3-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzyl] ester Formula: C36H43NO6 MolecularWeight: 585.72972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=C(C=CC(=C2)COC(=O)C3=C(C4=CC=CC=C4C=C3)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=C(C=CC(=C2)COC(=O)C3=C(C4=CC=CC=C4C=C3)O)O)O

InChI

InChI=1S/C36H43NO6/c38-33-20-17-28(26-43-36(41)31-19-18-29-15-6-7-16-30(29)35(31)40)24-32(33)34(39)25-37-21-9-1-2-10-22-42-23-11-8-14-27-12-4-3-5-13-27/h3-7,12-13,15-20,24,34,37-40H,1-2,8-11,14,21-23,25-26H2