3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-3-(5-benzyloxy-1H-indol-3-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-cyano-1-oxo-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-cyano-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-3-(5-benzoxy-1H-indol-3-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C26H19N3O4 MolecularWeight: 437.44676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=C(C#N)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3/C=C(\C#N)/C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H19N3O4/c27-14-19(25(30)29-21-8-4-7-18(12-21)26(31)32)11-20-15-28-24-10-9-22(13-23(20)24)33-16-17-5-2-1-3-6-17/h1-13,15,28H,16H2,(H,29,30)(H,31,32)/b19-11+