[1,4-bis(azanyl)-3-[(E)-octadec-9-enoyl]oxy-butan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [1,4-bis(azanyl)-3-[(E)-octadec-9-enoyl]oxy-butan-2-yl] (E)-octadec-9-enoate Openeye Name: [3-amino-1-(aminomethyl)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1,4-diamino-3-[(E)-1-oxooctadec-9-enoxy]butan-2-yl] ester IUPAC Name: [1,4-diamino-3-[(E)-octadec-9-enoyl]oxybutan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-amino-1-(aminomethyl)-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C40H76N2O4 MolecularWeight: 649.04244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CN)C(CN)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C(OC(=O)CCCCCCC/C=C/CCCCCCCC)CN)CN

InChI

InChI=1S/C40H76N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)45-37(35-41)38(36-42)46-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38H,3-16,21-36,41-42H2,1-2H3/b19-17+,20-18+