2-aminocarbonyl-7-(1,3-benzodioxol-5-yl)-2-methyl-heptanoic acid

Systemtic Name: 2-aminocarbonyl-7-(1,3-benzodioxol-5-yl)-2-methyl-heptanoic acid Openeye Name: 7-(1,3-benzodioxol-5-yl)-2-carbamoyl-2-methyl-heptanoic acid CAS Name: 7-(1,3-benzodioxol-5-yl)-2-carbamoyl-2-methylheptanoic acid IUPAC Name: 7-(1,3-benzodioxol-5-yl)-2-carbamoyl-2-methylheptanoic acid Traditional Name: 7-(1,3-benzodioxol-5-yl)-2-carbamoyl-2-methyl-enanthic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC1=CC2=C(C=C1)OCO2)(C(=O)N)C(=O)O

Isomeric SMILES

CC(CCCCCC1=CC2=C(C=C1)OCO2)(C(=O)N)C(=O)O

InChI

InChI=1S/C16H21NO5/c1-16(14(17)18,15(19)20)8-4-2-3-5-11-6-7-12-13(9-11)22-10-21-12/h6-7,9H,2-5,8,10H2,1H3,(H2,17,18)(H,19,20)