2-butyl-2-[(3-methoxycarbonylphenyl)methyl]propanedioic acid

Systemtic Name: 2-butyl-2-[(3-methoxycarbonylphenyl)methyl]propanedioic acid Openeye Name: 2-butyl-2-[(3-methoxycarbonylphenyl)methyl]propanedioic acid CAS Name: 2-butyl-2-[(3-methoxycarbonylphenyl)methyl]propanedioic acid IUPAC Name: 2-butyl-2-[(3-methoxycarbonylphenyl)methyl]propanedioic acid Traditional Name: 2-butyl-2-(3-carbomethoxybenzyl)malonic acid Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=CC(=C1)C(=O)OC)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC1=CC=CC(=C1)C(=O)OC)(C(=O)O)C(=O)O

InChI

InChI=1S/C16H20O6/c1-3-4-8-16(14(18)19,15(20)21)10-11-6-5-7-12(9-11)13(17)22-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,19)(H,20,21)