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

Systemtic Name: 4-[2-[[(E)-3-(1-propylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-(1-propylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-1-oxo-3-(1-propyl-5-indolyl)but-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-propylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-(1-propylindol-5-yl)but-2-enoyl]amino]phenoxy]butyric acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=CC=C3OCCCC(=O)O)C

Isomeric SMILES

CCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=CC=C3OCCCC(=O)O)/C

InChI

InChI=1S/C25H28N2O4/c1-3-13-27-14-12-20-17-19(10-11-22(20)27)18(2)16-24(28)26-21-7-4-5-8-23(21)31-15-6-9-25(29)30/h4-5,7-8,10-12,14,16-17H,3,6,9,13,15H2,1-2H3,(H,26,28)(H,29,30)/b18-16+