methyl 2-[[7-(diethylamino)-7-oxidanylidene-hept-5-ynoyl]-phenyl-amino]propanoate

Systemtic Name: methyl 2-[[7-(diethylamino)-7-oxidanylidene-hept-5-ynoyl]-phenyl-amino]propanoate Openeye Name: methyl 2-(N-[7-(diethylamino)-7-oxo-hept-5-ynoyl]anilino)propanoate CAS Name: 2-(N-[7-(diethylamino)-1,7-dioxohept-5-ynyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[7-(diethylamino)-7-oxohept-5-ynoyl]anilino)propanoate Traditional Name: 2-(N-[7-(diethylamino)-7-keto-hept-5-ynoyl]anilino)propionic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-5-22(6-2)19(24)15-11-8-12-16-20(25)23(17(3)21(26)27-4)18-13-9-7-10-14-18/h7,9-10,13-14,17H,5-6,8,12,16H2,1-4H3