2-[2-(1-adamantylmethylamino)-4-bromanyl-phenyl]propanedioic acid

Systemtic Name: 2-[2-(1-adamantylmethylamino)-4-bromanyl-phenyl]propanedioic acid Openeye Name: 2-[2-(1-adamantylmethylamino)-4-bromo-phenyl]propanedioic acid CAS Name: 2-[2-(1-adamantylmethylamino)-4-bromophenyl]propanedioic acid IUPAC Name: 2-[2-(1-adamantylmethylamino)-4-bromophenyl]propanedioic acid Traditional Name: 2-[2-(1-adamantylmethylamino)-4-bromo-phenyl]malonic acid Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=CC(=C4)Br)C(C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC4=C(C=CC(=C4)Br)C(C(=O)O)C(=O)O

InChI

InChI=1S/C20H24BrNO4/c21-14-1-2-15(17(18(23)24)19(25)26)16(6-14)22-10-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,11-13,17,22H,3-5,7-10H2,(H,23,24)(H,25,26)