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

Systemtic Name: 4-[3-[[(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[3-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[3-[[(E)-3-(1-heptan-4-yl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[3-[[(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[3-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butyric acid Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC(=CC=C3)OCCCC(=O)O)C

Isomeric SMILES

CCCC(CCC)N1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC(=CC=C3)OCCCC(=O)O)/C

InChI

InChI=1S/C29H36N2O4/c1-4-8-25(9-5-2)31-16-15-23-19-22(13-14-27(23)31)21(3)18-28(32)30-24-10-6-11-26(20-24)35-17-7-12-29(33)34/h6,10-11,13-16,18-20,25H,4-5,7-9,12,17H2,1-3H3,(H,30,32)(H,33,34)/b21-18+