2-[(4-cyanophenyl)amino]-2-(5-ethyl-2-phenylmethoxy-3-prop-2-enyl-phenyl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(5-ethyl-2-phenylmethoxy-3-prop-2-enyl-phenyl)ethanoic acid Openeye Name: 2-(3-allyl-2-benzyloxy-5-ethyl-phenyl)-2-(4-cyanoanilino)acetic acid CAS Name: 2-(4-cyanoanilino)-2-(5-ethyl-2-phenylmethoxy-3-prop-2-enylphenyl)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(5-ethyl-2-phenylmethoxy-3-prop-2-enylphenyl)acetic acid Traditional Name: 2-(3-allyl-2-benzoxy-5-ethyl-phenyl)-2-(4-cyanoanilino)acetic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC3=CC=CC=C3)CC=C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)OCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C27H26N2O3/c1-3-8-22-15-19(4-2)16-24(26(22)32-18-21-9-6-5-7-10-21)25(27(30)31)29-23-13-11-20(17-28)12-14-23/h3,5-7,9-16,25,29H,1,4,8,18H2,2H3,(H,30,31)