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

Systemtic Name: 4-[2-[[(E)-3-(1-hexan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-[1-(1-methylpentyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-3-(1-hexan-2-yl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-hexan-2-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-[1-(1-methylpentyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butyric acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-4-5-9-21(3)30-16-15-23-19-22(13-14-25(23)30)20(2)18-27(31)29-24-10-6-7-11-26(24)34-17-8-12-28(32)33/h6-7,10-11,13-16,18-19,21H,4-5,8-9,12,17H2,1-3H3,(H,29,31)(H,32,33)/b20-18+