4-[(4-chlorophenyl)carbonyl-(3-ethylpent-1-yn-3-yl)amino]butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)carbonyl-(3-ethylpent-1-yn-3-yl)amino]butanoic acid Openeye Name: 4-[(4-chlorobenzoyl)-(1,1-diethylprop-2-ynyl)amino]butanoic acid CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]-(3-ethylpent-1-yn-3-yl)amino]butanoic acid IUPAC Name: 4-[(4-chlorobenzoyl)-(3-ethylpent-1-yn-3-yl)amino]butanoic acid Traditional Name: 4-[(4-chlorobenzoyl)-(1,1-diethylprop-2-ynyl)amino]butyric acid Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)N(CCCC(=O)O)C(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(CC)(C#C)N(CCCC(=O)O)C(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H22ClNO3/c1-4-18(5-2,6-3)20(13-7-8-16(21)22)17(23)14-9-11-15(19)12-10-14/h1,9-12H,5-8,13H2,2-3H3,(H,21,22)