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

Systemtic Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclobutyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclobutyl]cyclopropanecarboxylic acid CAS Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclobutyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethylcyclobutyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[3-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-cyclobutyl]cyclopropanecarboxylic acid Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC1C2(CC2)C(=O)O)C(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(CC1C2(CC2)C(=O)O)C(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C24H25NO3/c1-23(2)20(14-21(23)24(11-12-24)22(26)27)19(15-25)16-7-6-10-18(13-16)28-17-8-4-3-5-9-17/h3-10,13,19-21H,11-12,14H2,1-2H3,(H,26,27)