3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]propylamino]propanoic acid

Systemtic Name: 3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]propylamino]propanoic acid Openeye Name: 3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]propylamino]propanoic acid CAS Name: 3-[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]propylamino]propanoic acid IUPAC Name: 3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]propylamino]propanoic acid Traditional Name: 3-[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]propylamino]propionic acid Formula: C24H33ClN2O3 MolecularWeight: 432.98342

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCC(=O)O)Cl

InChI

InChI=1S/C24H33ClN2O3/c25-21-4-3-16(2-1-6-26-7-5-22(28)29)11-20(21)23(30)27-15-24-12-17-8-18(13-24)10-19(9-17)14-24/h3-4,11,17-19,26H,1-2,5-10,12-15H2,(H,27,30)(H,28,29)