2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyrazin-2-yl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chloranyl-phenyl]pyrazin-2-yl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]pyrazin-2-yl]-methyl-amino]acetic acid CAS Name: 2-[[3-[3-[(1-adamantylmethylamino)-oxomethyl]-4-chlorophenyl]-2-pyrazinyl]-methylamino]acetic acid IUPAC Name: 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chlorophenyl]pyrazin-2-yl]-methylamino]acetic acid Traditional Name: 2-[[3-[3-(1-adamantylmethylcarbamoyl)-4-chloro-phenyl]pyrazin-2-yl]-methyl-amino]acetic acid Formula: C25H29ClN4O3 MolecularWeight: 468.97576

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C1=NC=CN=C1C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN(CC(=O)O)C1=NC=CN=C1C2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29ClN4O3/c1-30(13-21(31)32)23-22(27-4-5-28-23)18-2-3-20(26)19(9-18)24(33)29-14-25-10-15-6-16(11-25)8-17(7-15)12-25/h2-5,9,15-17H,6-8,10-14H2,1H3,(H,29,33)(H,31,32)