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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=CC2=C1C=CC(=C2)C(=CC(=O)NC3=CC=CC=C3OCCCC(=O)O)C

Isomeric SMILES

CCCCCCCN1C=CC2=C1C=CC(=C2)/C(=C/C(=O)NC3=CC=CC=C3OCCCC(=O)O)/C

InChI

InChI=1S/C29H36N2O4/c1-3-4-5-6-9-17-31-18-16-24-21-23(14-15-26(24)31)22(2)20-28(32)30-25-11-7-8-12-27(25)35-19-10-13-29(33)34/h7-8,11-12,14-16,18,20-21H,3-6,9-10,13,17,19H2,1-2H3,(H,30,32)(H,33,34)/b22-20+