2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanoic acid; (Z)-octadec-9-en-1-amine

Systemtic Name: 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanoic acid; (Z)-octadec-9-en-1-amine Openeye Name: 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid; (Z)-octadec-9-en-1-amine CAS Name: 2-[methyl-[(Z)-1-oxooctadec-9-enyl]amino]acetic acid; (Z)-9-octadecen-1-amine IUPAC Name: 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid; (Z)-octadec-9-en-1-amine Traditional Name: 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid; [(Z)-octadec-9-enyl]amine Formula: C39H76N2O3 MolecularWeight: 621.03234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN.CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCN.CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)O

InChI

InChI=1S/C21H39NO3.C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);9-10H,2-8,11-19H2,1H3/b11-10-;10-9-