2-azanyl-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-azanyl-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-amino-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-phenyl-acetic acid CAS Name: 2-amino-2-[[(9E,12E)-1-oxooctadeca-9,12-dienyl]amino]-2-phenylacetic acid IUPAC Name: 2-amino-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-phenylacetic acid Traditional Name: 2-amino-2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]-2-phenyl-acetic acid Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)NC(C1=CC=CC=C1)(C(=O)O)N

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)NC(C1=CC=CC=C1)(C(=O)O)N

InChI

InChI=1S/C26H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(29)28-26(27,25(30)31)23-20-17-16-18-21-23/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22,27H2,1H3,(H,28,29)(H,30,31)/b7-6+,10-9+