3-methoxy-4-[[7-(4-morpholin-4-yl-4-oxidanylidene-butyl)naphthalen-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[7-(4-morpholin-4-yl-4-oxidanylidene-butyl)naphthalen-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[7-(4-morpholino-4-oxo-butyl)-1-naphthyl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[7-[4-(4-morpholinyl)-4-oxobutyl]-1-naphthalenyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[7-(4-morpholin-4-yl-4-oxobutyl)naphthalen-1-yl]methyl]benzoic acid Traditional Name: 4-[[7-(4-keto-4-morpholino-butyl)-1-naphthyl]methyl]-3-methoxy-benzoic acid Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CC2=CC=CC3=C2C=C(C=C3)CCCC(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2=CC=CC3=C2C=C(C=C3)CCCC(=O)N4CCOCC4

InChI

InChI=1S/C27H29NO5/c1-32-25-18-23(27(30)31)11-10-22(25)17-21-6-3-5-20-9-8-19(16-24(20)21)4-2-7-26(29)28-12-14-33-15-13-28/h3,5-6,8-11,16,18H,2,4,7,12-15,17H2,1H3,(H,30,31)