1-[2,2-dimethyl-3-[1-(3-phenoxyphenyl)prop-2-ynyl]cyclobutyl]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[2,2-dimethyl-3-[1-(3-phenoxyphenyl)prop-2-ynyl]cyclobutyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[2,2-dimethyl-3-[1-(3-phenoxyphenyl)prop-2-ynyl]cyclobutyl]cyclopropanecarboxylic acid CAS Name: 1-[2,2-dimethyl-3-[1-(3-phenoxyphenyl)prop-2-ynyl]cyclobutyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[2,2-dimethyl-3-[1-(3-phenoxyphenyl)prop-2-ynyl]cyclobutyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[2,2-dimethyl-3-[1-(3-phenoxyphenyl)prop-2-ynyl]cyclobutyl]cyclopropanecarboxylic acid Formula: C25H26O3 MolecularWeight: 374.47214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O3/c1-4-20(21-16-22(24(21,2)3)25(13-14-25)23(26)27)17-9-8-12-19(15-17)28-18-10-6-5-7-11-18/h1,5-12,15,20-22H,13-14,16H2,2-3H3,(H,26,27)