2-azanylbutanedioic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole

Systemtic Name: 2-azanylbutanedioic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole Openeye Name: 2-aminobutanedioic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole CAS Name: 2-aminobutanedioic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole IUPAC Name: 2-aminobutanedioic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole Traditional Name: 2-aminosuccinic acid; 2-[(E)-octadec-9-enyl]-2-imidazoline Formula: C25H47N3O4 MolecularWeight: 453.65838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=NCCN1.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=NCCN1.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C21H40N2.C4H7NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;5-2(4(8)9)1-3(6)7/h9-10H,2-8,11-20H2,1H3,(H,22,23);2H,1,5H2,(H,6,7)(H,8,9)/b10-9+;