3-(5-chloranylindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propanoic acid

Systemtic Name: 3-(5-chloranylindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propanoic acid Openeye Name: 3-(5-chloroindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propanoic acid CAS Name: 3-(5-chloro-1-indolyl)-2-[[(E)-1-oxooctadec-9-enyl]amino]propanoic acid IUPAC Name: 3-(5-chloroindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propanoic acid Traditional Name: 3-(5-chloroindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propionic acid Formula: C29H43ClN2O3 MolecularWeight: 503.11632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CN1C=CC2=C1C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CN1C=CC2=C1C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C29H43ClN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)31-26(29(34)35)23-32-21-20-24-22-25(30)18-19-27(24)32/h9-10,18-22,26H,2-8,11-17,23H2,1H3,(H,31,33)(H,34,35)/b10-9+