2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoic acid

Systemtic Name: 2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoic acid Openeye Name: 2-(dodecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoic acid CAS Name: 3-(4-methoxy-3-nitrophenyl)-2-(1-oxododecylamino)propanoic acid IUPAC Name: 2-(dodecanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoic acid Traditional Name: 2-(lauroylamino)-3-(4-methoxy-3-nitro-phenyl)propionic acid Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H34N2O6/c1-3-4-5-6-7-8-9-10-11-12-21(25)23-18(22(26)27)15-17-13-14-20(30-2)19(16-17)24(28)29/h13-14,16,18H,3-12,15H2,1-2H3,(H,23,25)(H,26,27)