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

Systemtic Name: 3-(5-methoxyindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propanoic acid Openeye Name: 3-(5-methoxyindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propanoic acid CAS Name: 3-(5-methoxy-1-indolyl)-2-[[(E)-1-oxooctadec-9-enyl]amino]propanoic acid IUPAC Name: 3-(5-methoxyindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propanoic acid Traditional Name: 3-(5-methoxyindol-1-yl)-2-[[(E)-octadec-9-enoyl]amino]propionic acid Formula: C30H46N2O4 MolecularWeight: 498.69724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(33)31-27(30(34)35)24-32-22-21-25-23-26(36-2)19-20-28(25)32/h10-11,19-23,27H,3-9,12-18,24H2,1-2H3,(H,31,33)(H,34,35)/b11-10+