4-(3-bromanyl-4-methoxy-phenyl)-4-cyano-heptanedioic acid

Systemtic Name: 4-(3-bromanyl-4-methoxy-phenyl)-4-cyano-heptanedioic acid Openeye Name: 4-(3-bromo-4-methoxy-phenyl)-4-cyano-heptanedioic acid CAS Name: 4-(3-bromo-4-methoxyphenyl)-4-cyanoheptanedioic acid IUPAC Name: 4-(3-bromo-4-methoxyphenyl)-4-cyanoheptanedioic acid Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-4-cyano-pimelic acid Formula: C15H16BrNO5 MolecularWeight: 370.19524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO5/c1-22-12-3-2-10(8-11(12)16)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)