1-[cyano-(3-phenoxyphenyl)methyl]-3-(3-cyclopentyloxy-3-oxidanylidene-prop-1-ynyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-(3-cyclopentyloxy-3-oxidanylidene-prop-1-ynyl)-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(cyclopentoxy)-3-oxo-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-(3-cyclopentyloxy-3-oxoprop-1-ynyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-(3-cyclopentyloxy-3-oxoprop-1-ynyl)-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[3-(cyclopentoxy)-3-keto-prop-1-ynyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)C#CC(=O)OC4CCCC4)C

Isomeric SMILES

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)C#CC(=O)OC4CCCC4)C

InChI

InChI=1S/C28H27NO5/c1-27(2)24(15-16-25(30)34-21-12-6-7-13-21)28(27,26(31)32)23(18-29)19-9-8-14-22(17-19)33-20-10-4-3-5-11-20/h3-5,8-11,14,17,21,23-24H,6-7,12-13H2,1-2H3,(H,31,32)