4-(2-bromanyl-5-methoxy-phenyl)-4-cyano-heptanedioic acid

Systemtic Name: 4-(2-bromanyl-5-methoxy-phenyl)-4-cyano-heptanedioic acid Openeye Name: 4-(2-bromo-5-methoxy-phenyl)-4-cyano-heptanedioic acid CAS Name: 4-(2-bromo-5-methoxyphenyl)-4-cyanoheptanedioic acid IUPAC Name: 4-(2-bromo-5-methoxyphenyl)-4-cyanoheptanedioic acid Traditional Name: 4-(2-bromo-5-methoxy-phenyl)-4-cyano-pimelic acid Formula: C15H16BrNO5 MolecularWeight: 370.19524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(CCC(=O)O)(CCC(=O)O)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(CCC(=O)O)(CCC(=O)O)C#N

InChI

InChI=1S/C15H16BrNO5/c1-22-10-2-3-12(16)11(8-10)15(9-17,6-4-13(18)19)7-5-14(20)21/h2-3,8H,4-7H2,1H3,(H,18,19)(H,20,21)