4-[2-(3-bromophenyl)ethyl]-4-cyano-heptanedioic acid

Systemtic Name: 4-[2-(3-bromophenyl)ethyl]-4-cyano-heptanedioic acid Openeye Name: 4-[2-(3-bromophenyl)ethyl]-4-cyano-heptanedioic acid CAS Name: 4-[2-(3-bromophenyl)ethyl]-4-cyanoheptanedioic acid IUPAC Name: 4-[2-(3-bromophenyl)ethyl]-4-cyanoheptanedioic acid Traditional Name: 4-[2-(3-bromophenyl)ethyl]-4-cyano-pimelic acid Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO4/c17-13-3-1-2-12(10-13)4-7-16(11-18,8-5-14(19)20)9-6-15(21)22/h1-3,10H,4-9H2,(H,19,20)(H,21,22)