3-(3-cyanophenyl)-5-[(4-propan-2-ylphenoxy)methyl]benzoic acid

Systemtic Name: 3-(3-cyanophenyl)-5-[(4-propan-2-ylphenoxy)methyl]benzoic acid Openeye Name: 3-(3-cyanophenyl)-5-[(4-isopropylphenoxy)methyl]benzoic acid CAS Name: 3-(3-cyanophenyl)-5-[(4-propan-2-ylphenoxy)methyl]benzoic acid IUPAC Name: 3-(3-cyanophenyl)-5-[(4-propan-2-ylphenoxy)methyl]benzoic acid Traditional Name: 3-(3-cyanophenyl)-5-[(4-isopropylphenoxy)methyl]benzoic acid Formula: C24H21NO3 MolecularWeight: 371.42844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H21NO3/c1-16(2)19-6-8-23(9-7-19)28-15-18-11-21(13-22(12-18)24(26)27)20-5-3-4-17(10-20)14-25/h3-13,16H,15H2,1-2H3,(H,26,27)