methyl 3-[3-oxidanyl-3-[3-(quinolin-2-ylmethoxy)phenyl]propyl]benzoate

Systemtic Name: methyl 3-[3-oxidanyl-3-[3-(quinolin-2-ylmethoxy)phenyl]propyl]benzoate Openeye Name: methyl 3-[3-hydroxy-3-[3-(2-quinolylmethoxy)phenyl]propyl]benzoate CAS Name: 3-[3-hydroxy-3-[3-(2-quinolinylmethoxy)phenyl]propyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-hydroxy-3-[3-(quinolin-2-ylmethoxy)phenyl]propyl]benzoate Traditional Name: 3-[3-hydroxy-3-[3-(2-quinolylmethoxy)phenyl]propyl]benzoic acid methyl ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCC(C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCC(C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C27H25NO4/c1-31-27(30)22-9-4-6-19(16-22)12-15-26(29)21-8-5-10-24(17-21)32-18-23-14-13-20-7-2-3-11-25(20)28-23/h2-11,13-14,16-17,26,29H,12,15,18H2,1H3