2-[[2-(diethanoylamino)-3-methoxy-phenyl]methyl]-3-(dipropylamino)oxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[[2-(diethanoylamino)-3-methoxy-phenyl]methyl]-3-(dipropylamino)oxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[[2-(diacetylamino)-3-methoxy-phenyl]methyl]-3-(dipropylamino)oxy-3-oxo-propanoic acid CAS Name: 2-[[2-(diacetylamino)-3-methoxyphenyl]methyl]-3-(dipropylamino)oxy-3-oxopropanoic acid IUPAC Name: 2-[[2-(diacetylamino)-3-methoxyphenyl]methyl]-3-(dipropylamino)oxy-3-oxopropanoic acid Traditional Name: 2-[2-(diacetylamino)-3-methoxy-benzyl]-3-(dipropylamino)oxy-3-keto-propionic acid Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)OC(=O)C(CC1=C(C(=CC=C1)OC)N(C(=O)C)C(=O)C)C(=O)O

Isomeric SMILES

CCCN(CCC)OC(=O)C(CC1=C(C(=CC=C1)OC)N(C(=O)C)C(=O)C)C(=O)O

InChI

InChI=1S/C21H30N2O7/c1-6-11-22(12-7-2)30-21(28)17(20(26)27)13-16-9-8-10-18(29-5)19(16)23(14(3)24)15(4)25/h8-10,17H,6-7,11-13H2,1-5H3,(H,26,27)