2-[2-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]amino]ethylamino]ethanoic acid

Systemtic Name: 2-[2-[[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]amino]ethylamino]ethanoic acid Openeye Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-anilino]ethylamino]acetic acid CAS Name: 2-[2-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chloroanilino]ethylamino]acetic acid IUPAC Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloroanilino]ethylamino]acetic acid Traditional Name: 2-[2-[3-(1-adamantylmethylcarbamoyl)-4-chloro-anilino]ethylamino]acetic acid Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O3/c23-19-2-1-17(25-4-3-24-12-20(27)28)8-18(19)21(29)26-13-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-2,8,14-16,24-25H,3-7,9-13H2,(H,26,29)(H,27,28)