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

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-hexoxy-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-hexoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-hexoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-hexoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-hexoxy-3-keto-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C=CC1C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)(C)C

Isomeric SMILES

CCCCCCOC(=O)/C=C/C1C(C1(C(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)(C)C

InChI

InChI=1S/C29H33NO5/c1-4-5-6-10-18-34-26(31)17-16-25-28(2,3)29(25,27(32)33)24(20-30)21-12-11-15-23(19-21)35-22-13-8-7-9-14-22/h7-9,11-17,19,24-25H,4-6,10,18H2,1-3H3,(H,32,33)/b17-16+