[(E)-octadec-9-enyl] 2-azanyl-3-(1-ethanoylindol-3-yl)propanoate

Systemtic Name: [(E)-octadec-9-enyl] 2-azanyl-3-(1-ethanoylindol-3-yl)propanoate Openeye Name: [(E)-octadec-9-enyl] 3-(1-acetylindol-3-yl)-2-amino-propanoate CAS Name: 3-(1-acetyl-3-indolyl)-2-aminopropanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 3-(1-acetylindol-3-yl)-2-aminopropanoate Traditional Name: 3-(1-acetylindol-3-yl)-2-amino-propionic acid [(E)-octadec-9-enyl] ester Formula: C31H48N2O3 MolecularWeight: 496.72442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)C)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)C)N

InChI

InChI=1S/C31H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-36-31(35)29(32)24-27-25-33(26(2)34)30-22-19-18-21-28(27)30/h10-11,18-19,21-22,25,29H,3-9,12-17,20,23-24,32H2,1-2H3/b11-10+