3-(2-azanyl-3-phenyl-propanoyl)oxypropyl (6E,9E,12E)-octadeca-6,9,12-trienoate

Systemtic Name: 3-(2-azanyl-3-phenyl-propanoyl)oxypropyl (6E,9E,12E)-octadeca-6,9,12-trienoate Openeye Name: 3-(2-amino-3-phenyl-propanoyl)oxypropyl (6E,9E,12E)-octadeca-6,9,12-trienoate CAS Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid 3-(2-amino-1-oxo-3-phenylpropoxy)propyl ester IUPAC Name: 3-(2-amino-3-phenylpropanoyl)oxypropyl (6E,9E,12E)-octadeca-6,9,12-trienoate Traditional Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid 3-phenylalanyloxypropyl ester Formula: C30H45NO4 MolecularWeight: 483.6826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-29(32)34-24-20-25-35-30(33)28(31)26-27-21-17-16-18-22-27/h6-7,9-10,12-13,16-18,21-22,28H,2-5,8,11,14-15,19-20,23-26,31H2,1H3/b7-6+,10-9+,13-12+