4-[(4-chlorophenyl)carbonyl-(1-ethynylcyclohexyl)amino]butanoic acid

Systemtic Name: 4-[(4-chlorophenyl)carbonyl-(1-ethynylcyclohexyl)amino]butanoic acid Openeye Name: 4-[(4-chlorobenzoyl)-(1-ethynylcyclohexyl)amino]butanoic acid CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]-(1-ethynylcyclohexyl)amino]butanoic acid IUPAC Name: 4-[(4-chlorobenzoyl)-(1-ethynylcyclohexyl)amino]butanoic acid Traditional Name: 4-[(4-chlorobenzoyl)-(1-ethynylcyclohexyl)amino]butyric acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)N(CCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C#CC1(CCCCC1)N(CCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClNO3/c1-2-19(12-4-3-5-13-19)21(14-6-7-17(22)23)18(24)15-8-10-16(20)11-9-15/h1,8-11H,3-7,12-14H2,(H,22,23)