3-[[2-cyano-3-(3-ethoxy-4-phenylmethoxy-5-prop-2-enyl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(3-ethoxy-4-phenylmethoxy-5-prop-2-enyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(3-allyl-4-benzyloxy-5-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(3-allyl-4-benzoxy-5-ethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C29H26N2O5 MolecularWeight: 482.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C29H26N2O5/c1-3-9-22-14-21(16-26(35-4-2)27(22)36-19-20-10-6-5-7-11-20)15-24(18-30)28(32)31-25-13-8-12-23(17-25)29(33)34/h3,5-8,10-17H,1,4,9,19H2,2H3,(H,31,32)(H,33,34)