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

Systemtic Name: 4-[2-[[(E)-3-(1-octan-4-ylindol-5-yl)pent-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-[1-(1-propylpentyl)indol-5-yl]pent-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-3-(1-octan-4-yl-5-indolyl)-1-oxopent-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-octan-4-ylindol-5-yl)pent-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-[1-(1-propylpentyl)indol-5-yl]pent-2-enoyl]amino]phenoxy]butyric acid Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O4/c1-4-7-12-26(11-5-2)33-19-18-25-21-24(16-17-28(25)33)23(6-3)22-30(34)32-27-13-8-9-14-29(27)37-20-10-15-31(35)36/h8-9,13-14,16-19,21-22,26H,4-7,10-12,15,20H2,1-3H3,(H,32,34)(H,35,36)/b23-22+