4-[2-[4-(2-methyl-3-oxidanyl-phenyl)morpholin-2-yl]propyl]benzoic acid

Systemtic Name: 4-[2-[4-(2-methyl-3-oxidanyl-phenyl)morpholin-2-yl]propyl]benzoic acid Openeye Name: 4-[2-[4-(3-hydroxy-2-methyl-phenyl)morpholin-2-yl]propyl]benzoic acid CAS Name: 4-[2-[4-(3-hydroxy-2-methylphenyl)-2-morpholinyl]propyl]benzoic acid IUPAC Name: 4-[2-[4-(3-hydroxy-2-methylphenyl)morpholin-2-yl]propyl]benzoic acid Traditional Name: 4-[2-[4-(3-hydroxy-2-methyl-phenyl)morpholin-2-yl]propyl]benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)N2CCOC(C2)C(C)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1O)N2CCOC(C2)C(C)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-14(12-16-6-8-17(9-7-16)21(24)25)20-13-22(10-11-26-20)18-4-3-5-19(23)15(18)2/h3-9,14,20,23H,10-13H2,1-2H3,(H,24,25)