1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-cyclohexyloxy-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-cyclohexyloxy-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-(cyclohexoxy)-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-cyclohexyloxy-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-cyclohexyloxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-(cyclohexoxy)-3-keto-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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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)OC4CCCCC4)C

Isomeric SMILES

CC1(C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)/C=C/C(=O)OC4CCCCC4)C

InChI

InChI=1S/C29H31NO5/c1-28(2)25(16-17-26(31)35-22-13-7-4-8-14-22)29(28,27(32)33)24(19-30)20-10-9-15-23(18-20)34-21-11-5-3-6-12-21/h3,5-6,9-12,15-18,22,24-25H,4,7-8,13-14H2,1-2H3,(H,32,33)/b17-16+