4-[2-[[(E)-3-(1-butan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[[(E)-3-(1-butan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-(1-sec-butylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-3-(1-butan-2-yl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-butan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-(1-sec-butylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=CC=C3OCCCC(=O)O)C

Isomeric SMILES

CCC(C)N1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=CC=C3OCCCC(=O)O)/C

InChI

InChI=1S/C26H30N2O4/c1-4-19(3)28-14-13-21-17-20(11-12-23(21)28)18(2)16-25(29)27-22-8-5-6-9-24(22)32-15-7-10-26(30)31/h5-6,8-9,11-14,16-17,19H,4,7,10,15H2,1-3H3,(H,27,29)(H,30,31)/b18-16+