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

Systemtic Name: 2-[[4-chloranyl-1-(piperidin-4-ylmethoxy)naphthalen-2-yl]carbonylamino]-2-methyl-butanoic acid Openeye Name: 2-[[4-chloro-1-(4-piperidylmethoxy)naphthalene-2-carbonyl]amino]-2-methyl-butanoic acid CAS Name: 2-[[[4-chloro-1-(4-piperidinylmethoxy)-2-naphthalenyl]-oxomethyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[[4-chloro-1-(piperidin-4-ylmethoxy)naphthalene-2-carbonyl]amino]-2-methylbutanoic acid Traditional Name: 2-[[4-chloro-1-(4-piperidylmethoxy)-2-naphthoyl]amino]-2-methyl-butyric acid Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)Cl)OCC3CCNCC3

Isomeric SMILES

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C(=C1)Cl)OCC3CCNCC3

InChI

InChI=1S/C22H27ClN2O4/c1-3-22(2,21(27)28)25-20(26)17-12-18(23)15-6-4-5-7-16(15)19(17)29-13-14-8-10-24-11-9-14/h4-7,12,14,24H,3,8-11,13H2,1-2H3,(H,25,26)(H,27,28)