2-[[4-chloranyl-1-(2-oxidanylidene-1-piperidin-4-yl-butoxy)naphthalen-2-yl]carbonylamino]-2-methyl-butanoic acid

Systemtic Name: 2-[[4-chloranyl-1-(2-oxidanylidene-1-piperidin-4-yl-butoxy)naphthalen-2-yl]carbonylamino]-2-methyl-butanoic acid Openeye Name: 2-[[4-chloro-1-[2-oxo-1-(4-piperidyl)butoxy]naphthalene-2-carbonyl]amino]-2-methyl-butanoic acid CAS Name: 2-[[[4-chloro-1-[2-oxo-1-(4-piperidinyl)butoxy]-2-naphthalenyl]-oxomethyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[[4-chloro-1-(2-oxo-1-piperidin-4-ylbutoxy)naphthalene-2-carbonyl]amino]-2-methylbutanoic acid Traditional Name: 2-[[4-chloro-1-[2-keto-1-(4-piperidyl)butoxy]-2-naphthoyl]amino]-2-methyl-butyric acid Formula: C25H31ClN2O5 MolecularWeight: 474.97704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1CCNCC1)OC2=C(C=C(C3=CC=CC=C32)Cl)C(=O)NC(C)(CC)C(=O)O

Isomeric SMILES

CCC(=O)C(C1CCNCC1)OC2=C(C=C(C3=CC=CC=C32)Cl)C(=O)NC(C)(CC)C(=O)O

InChI

InChI=1S/C25H31ClN2O5/c1-4-20(29)21(15-10-12-27-13-11-15)33-22-17-9-7-6-8-16(17)19(26)14-18(22)23(30)28-25(3,5-2)24(31)32/h6-9,14-15,21,27H,4-5,10-13H2,1-3H3,(H,28,30)(H,31,32)