4-[3-[4-(diethylamino)-3-methyl-5-propan-2-yl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid

Systemtic Name: 4-[3-[4-(diethylamino)-3-methyl-5-propan-2-yl-phenyl]-4-(3-oxidanylpropoxy)phenyl]benzoic acid Openeye Name: 4-[3-[4-(diethylamino)-3-isopropyl-5-methyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid CAS Name: 4-[3-[4-(diethylamino)-3-methyl-5-propan-2-ylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid IUPAC Name: 4-[3-[4-(diethylamino)-3-methyl-5-propan-2-ylphenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Traditional Name: 4-[3-[4-(diethylamino)-3-isopropyl-5-methyl-phenyl]-4-(3-hydroxypropoxy)phenyl]benzoic acid Formula: C30H37NO4 MolecularWeight: 475.61908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1C(C)C)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1C(C)C)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)OCCCO)C

InChI

InChI=1S/C30H37NO4/c1-6-31(7-2)29-21(5)17-25(19-26(29)20(3)4)27-18-24(13-14-28(27)35-16-8-15-32)22-9-11-23(12-10-22)30(33)34/h9-14,17-20,32H,6-8,15-16H2,1-5H3,(H,33,34)