3-(3-cyanophenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoic acid

Systemtic Name: 3-(3-cyanophenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoic acid Openeye Name: 3-(3-cyanophenyl)-5-[(4-isopropylphenyl)methoxymethyl]benzoic acid CAS Name: 3-(3-cyanophenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoic acid IUPAC Name: 3-(3-cyanophenyl)-5-[(4-propan-2-ylphenyl)methoxymethyl]benzoic acid Traditional Name: 3-(3-cyanophenyl)-5-[(4-isopropylbenzyl)oxymethyl]benzoic acid Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H23NO3/c1-17(2)21-8-6-18(7-9-21)15-29-16-20-11-23(13-24(12-20)25(27)28)22-5-3-4-19(10-22)14-26/h3-13,17H,15-16H2,1-2H3,(H,27,28)