2-azanyl-1-(2-undec-3-ynylphenyl)propane-1,3-diol; ethanoic acid

Systemtic Name: 2-azanyl-1-(2-undec-3-ynylphenyl)propane-1,3-diol; ethanoic acid Openeye Name: acetic acid; 2-amino-1-(2-undec-3-ynylphenyl)propane-1,3-diol CAS Name: acetic acid; 2-amino-1-(2-undec-3-ynylphenyl)propane-1,3-diol IUPAC Name: acetic acid; 2-amino-1-(2-undec-3-ynylphenyl)propane-1,3-diol Traditional Name: acetic acid; 2-amino-1-(2-undec-3-ynylphenyl)propane-1,3-diol Formula: C22H35NO4 MolecularWeight: 377.5176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CCCC1=CC=CC=C1C(C(CO)N)O.CC(=O)O

Isomeric SMILES

CCCCCCCC#CCCC1=CC=CC=C1C(C(CO)N)O.CC(=O)O

InChI

InChI=1S/C20H31NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-13-17-14-11-12-15-18(17)20(23)19(21)16-22;1-2(3)4/h11-12,14-15,19-20,22-23H,2-7,10,13,16,21H2,1H3;1H3,(H,3,4)