2-[3-azanyl-5-methyl-1-(2-prop-2-enylphenoxy)hept-6-yn-2-yl]oxy-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-azanyl-5-methyl-1-(2-prop-2-enylphenoxy)hept-6-yn-2-yl]oxy-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[(2-allylphenoxy)methyl]-2-amino-4-methyl-hex-5-ynoxy]-2-oxo-acetic acid CAS Name: 2-[3-amino-5-methyl-1-(2-prop-2-enylphenoxy)hept-6-yn-2-yl]oxy-2-oxoacetic acid IUPAC Name: 2-[3-amino-5-methyl-1-(2-prop-2-enylphenoxy)hept-6-yn-2-yl]oxy-2-oxoacetic acid Traditional Name: 2-[1-[(2-allylphenoxy)methyl]-2-amino-4-methyl-hex-5-ynoxy]-2-keto-acetic acid Formula: C19H23NO5 MolecularWeight: 345.38962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(COC1=CC=CC=C1CC=C)OC(=O)C(=O)O)N)C#C

Isomeric SMILES

CC(CC(C(COC1=CC=CC=C1CC=C)OC(=O)C(=O)O)N)C#C

InChI

InChI=1S/C19H23NO5/c1-4-8-14-9-6-7-10-16(14)24-12-17(25-19(23)18(21)22)15(20)11-13(3)5-2/h2,4,6-7,9-10,13,15,17H,1,8,11-12,20H2,3H3,(H,21,22)