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

Systemtic Name: 4-[2-[[(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-[1-(1-propylbutyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-3-(1-heptan-4-yl-5-indolyl)-1-oxobut-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-heptan-4-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(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=C3OCCCC(=O)O)C

Isomeric SMILES

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

InChI

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