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

Systemtic Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxidanylidene-3-undecoxy-prop-1-enyl]cyclopropane-1-carboxylic acid Openeye Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-undecoxy-prop-1-enyl]cyclopropanecarboxylic acid CAS Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-undecoxyprop-1-enyl]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[cyano-(3-phenoxyphenyl)methyl]-2,2-dimethyl-3-[(E)-3-oxo-3-undecoxyprop-1-enyl]cyclopropane-1-carboxylic acid Traditional Name: 1-[cyano-(3-phenoxyphenyl)methyl]-3-[(E)-3-keto-3-undecoxy-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C34H43NO5 MolecularWeight: 545.70892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H43NO5/c1-4-5-6-7-8-9-10-11-15-23-39-31(36)22-21-30-33(2,3)34(30,32(37)38)29(25-35)26-17-16-20-28(24-26)40-27-18-13-12-14-19-27/h12-14,16-22,24,29-30H,4-11,15,23H2,1-3H3,(H,37,38)/b22-21+