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

Systemtic Name: [(E)-octadec-9-enyl] 2-azanyl-3-(1H-indol-3-yl)propanoate Openeye Name: [(E)-octadec-9-enyl] 2-amino-3-(1H-indol-3-yl)propanoate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 2-amino-3-(1H-indol-3-yl)propanoate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid [(E)-octadec-9-enyl] ester Formula: C29H46N2O2 MolecularWeight: 454.68774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)N

InChI

InChI=1S/C29H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-33-29(32)27(30)23-25-24-31-28-21-18-17-20-26(25)28/h9-10,17-18,20-21,24,27,31H,2-8,11-16,19,22-23,30H2,1H3/b10-9+