4-[4-(dimethylaminomethyl)phenyl]-2-methyl-5-oxidanylidene-heptanoic acid

Systemtic Name: 4-[4-(dimethylaminomethyl)phenyl]-2-methyl-5-oxidanylidene-heptanoic acid Openeye Name: 4-[4-(dimethylaminomethyl)phenyl]-2-methyl-5-oxo-heptanoic acid CAS Name: 4-[4-(dimethylaminomethyl)phenyl]-2-methyl-5-oxoheptanoic acid IUPAC Name: 4-[4-(dimethylaminomethyl)phenyl]-2-methyl-5-oxoheptanoic acid Traditional Name: 4-[4-(dimethylaminomethyl)phenyl]-5-keto-2-methyl-enanthic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(C)C(=O)O)C1=CC=C(C=C1)CN(C)C

Isomeric SMILES

CCC(=O)C(CC(C)C(=O)O)C1=CC=C(C=C1)CN(C)C

InChI

InChI=1S/C17H25NO3/c1-5-16(19)15(10-12(2)17(20)21)14-8-6-13(7-9-14)11-18(3)4/h6-9,12,15H,5,10-11H2,1-4H3,(H,20,21)