2-[[7-(diethylamino)-7-oxidanylidene-hept-5-ynoyl]-phenyl-amino]propanoic acid

Systemtic Name: 2-[[7-(diethylamino)-7-oxidanylidene-hept-5-ynoyl]-phenyl-amino]propanoic acid Openeye Name: 2-(N-[7-(diethylamino)-7-oxo-hept-5-ynoyl]anilino)propanoic acid CAS Name: 2-(N-[7-(diethylamino)-1,7-dioxohept-5-ynyl]anilino)propanoic acid IUPAC Name: 2-(N-[7-(diethylamino)-7-oxohept-5-ynoyl]anilino)propanoic acid Traditional Name: 2-(N-[7-(diethylamino)-7-keto-hept-5-ynoyl]anilino)propionic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C#CCCCC(=O)N(C1=CC=CC=C1)C(C)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C#CCCCC(=O)N(C1=CC=CC=C1)C(C)C(=O)O

InChI

InChI=1S/C20H26N2O4/c1-4-21(5-2)18(23)14-10-7-11-15-19(24)22(16(3)20(25)26)17-12-8-6-9-13-17/h6,8-9,12-13,16H,4-5,7,11,15H2,1-3H3,(H,25,26)