4-[2-methoxy-4-(3-morpholin-4-yl-3-oxidanylidene-propyl)phenyl]benzoic acid

Systemtic Name: 4-[2-methoxy-4-(3-morpholin-4-yl-3-oxidanylidene-propyl)phenyl]benzoic acid Openeye Name: 4-[2-methoxy-4-(3-morpholino-3-oxo-propyl)phenyl]benzoic acid CAS Name: 4-[2-methoxy-4-[3-(4-morpholinyl)-3-oxopropyl]phenyl]benzoic acid IUPAC Name: 4-[2-methoxy-4-(3-morpholin-4-yl-3-oxopropyl)phenyl]benzoic acid Traditional Name: 4-[4-(3-keto-3-morpholino-propyl)-2-methoxy-phenyl]benzoic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC(=O)N2CCOCC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC(=O)N2CCOCC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H23NO5/c1-26-19-14-15(3-9-20(23)22-10-12-27-13-11-22)2-8-18(19)16-4-6-17(7-5-16)21(24)25/h2,4-8,14H,3,9-13H2,1H3,(H,24,25)