1-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperidine-3-carboxylic acid Traditional Name: 1-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)nipecotic acid Formula: C18H24ClNO5 MolecularWeight: 369.83986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCCC(C2)C(=O)O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCCC(C2)C(=O)O)OC

InChI

InChI=1S/C18H24ClNO5/c1-11(2)10-25-16-14(19)7-13(8-15(16)24-3)17(21)20-6-4-5-12(9-20)18(22)23/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,22,23)