4-[2-[[(E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[[(E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Openeye Name: 4-[2-[[(E)-3-[1-(1-pentylhexyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[(E)-1-oxo-3-(1-undecan-6-yl-5-indolyl)but-2-enyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(1-undecan-6-ylindol-5-yl)but-2-enoyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[(E)-3-[1-(1-amylhexyl)indol-5-yl]but-2-enoyl]amino]phenoxy]butyric acid Formula: C33H44N2O4 MolecularWeight: 532.71346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O4/c1-4-6-8-13-28(14-9-7-5-2)35-21-20-27-24-26(18-19-30(27)35)25(3)23-32(36)34-29-15-10-11-16-31(29)39-22-12-17-33(37)38/h10-11,15-16,18-21,23-24,28H,4-9,12-14,17,22H2,1-3H3,(H,34,36)(H,37,38)/b25-23+