cyclohexanamine; 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanoic acid

Systemtic Name: cyclohexanamine; 2-[methyl-[(E)-octadec-9-enoyl]amino]ethanoic acid Openeye Name: cyclohexanamine; 2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid CAS Name: cyclohexanamine; 2-[methyl-[(E)-1-oxooctadec-9-enyl]amino]acetic acid IUPAC Name: cyclohexanamine; 2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid Traditional Name: cyclohexylamine; 2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid Formula: C27H52N2O3 MolecularWeight: 452.71338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O.C1CCC(CC1)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N(C)CC(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C21H39NO3.C6H13N/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;7-6-4-2-1-3-5-6/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);6H,1-5,7H2/b11-10+;