4-[3-[4-(diethylamino)-3-methyl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[4-(diethylamino)-3-methyl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid Openeye Name: 4-[3-[4-(diethylamino)-3-methyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid CAS Name: 4-[3-[4-(diethylamino)-3-methylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[4-(diethylamino)-3-methylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Traditional Name: 4-[3-[4-(diethylamino)-3-methyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)C

InChI

InChI=1S/C27H31NO4/c1-4-28(5-2)25-13-11-23(17-19(25)3)24-18-22(12-14-26(24)32-16-6-15-29)20-7-9-21(10-8-20)27(30)31/h7-14,17-18,29H,4-6,15-16H2,1-3H3,(H,30,31)