1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropyl]cyclopropanecarboxylic acid CAS Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclopropyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclopropyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclopropyl]cyclopropanecarboxylic acid Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C2(CC2)C(=O)O)C(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(C1C2(CC2)C(=O)O)C(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C23H23NO3/c1-22(2)19(20(22)23(11-12-23)21(25)26)18(14-24)15-7-6-10-17(13-15)27-16-8-4-3-5-9-16/h3-10,13,18-20H,11-12H2,1-2H3,(H,25,26)