3-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]propyl 2-azanyl-3-phenyl-propanoate

Systemtic Name: 3-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]propyl 2-azanyl-3-phenyl-propanoate Openeye Name: 3-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]propyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid 3-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]propyl ester IUPAC Name: 3-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]propyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid 3-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]propyl ester Formula: C30H47NO3 MolecularWeight: 469.69908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCCOCCCOC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCCOCCCOC(=O)C(CC1=CC=CC=C1)N

InChI

InChI=1S/C30H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-33-25-21-26-34-30(32)29(31)27-28-22-18-17-19-23-28/h6-7,9-10,12-13,17-19,22-23,29H,2-5,8,11,14-16,20-21,24-27,31H2,1H3/b7-6+,10-9+,13-12+