4-[1-cyano-2-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxy-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxy-phenyl)ethenyl]benzoic acid Openeye Name: 4-[2-(3-allyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)ethenyl]benzoic acid Traditional Name: 4-[2-(3-allyl-5-ethoxy-4-propargyloxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C24H21NO4 MolecularWeight: 387.42784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC#C)CC=C)C=C(C#N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC#C)CC=C)C=C(C#N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C24H21NO4/c1-4-7-20-13-17(15-22(28-6-3)23(20)29-12-5-2)14-21(16-25)18-8-10-19(11-9-18)24(26)27/h2,4,8-11,13-15H,1,6-7,12H2,3H3,(H,26,27)