4-(3-bromanyl-5-propoxy-phenyl)-4-cyano-heptanedioic acid

Systemtic Name: 4-(3-bromanyl-5-propoxy-phenyl)-4-cyano-heptanedioic acid Openeye Name: 4-(3-bromo-5-propoxy-phenyl)-4-cyano-heptanedioic acid CAS Name: 4-(3-bromo-5-propoxyphenyl)-4-cyanoheptanedioic acid IUPAC Name: 4-(3-bromo-5-propoxyphenyl)-4-cyanoheptanedioic acid Traditional Name: 4-(3-bromo-5-propoxy-phenyl)-4-cyano-pimelic acid Formula: C17H20BrNO5 MolecularWeight: 398.2484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1)C(CCC(=O)O)(CCC(=O)O)C#N)Br

Isomeric SMILES

CCCOC1=CC(=CC(=C1)C(CCC(=O)O)(CCC(=O)O)C#N)Br

InChI

InChI=1S/C17H20BrNO5/c1-2-7-24-14-9-12(8-13(18)10-14)17(11-19,5-3-15(20)21)6-4-16(22)23/h8-10H,2-7H2,1H3,(H,20,21)(H,22,23)