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

Systemtic Name: 4-[2-[[(E)-3-(1-pentan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-[1-(1-methylbutyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-1-oxo-3-(1-pentan-2-yl-5-indolyl)but-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-pentan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-[1-(1-methylbutyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butyric acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4/c1-4-8-20(3)29-15-14-22-18-21(12-13-24(22)29)19(2)17-26(30)28-23-9-5-6-10-25(23)33-16-7-11-27(31)32/h5-6,9-10,12-15,17-18,20H,4,7-8,11,16H2,1-3H3,(H,28,30)(H,31,32)/b19-17+