2-[[(1-adamantylmethylamino)-[(4-cyanophenyl)amino]methylidene]amino]ethanoic acid

Systemtic Name: 2-[[(1-adamantylmethylamino)-[(4-cyanophenyl)amino]methylidene]amino]ethanoic acid Openeye Name: 2-[[(1-adamantylmethylamino)-(4-cyanoanilino)methylene]amino]acetic acid CAS Name: 2-[[(1-adamantylmethylamino)-(4-cyanoanilino)methylidene]amino]acetic acid IUPAC Name: 2-[[(1-adamantylmethylamino)-(4-cyanoanilino)methylidene]amino]acetic acid Traditional Name: 2-[[(1-adamantylmethylamino)-(4-cyanoanilino)methylene]amino]acetic acid Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=NCC(=O)O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=NCC(=O)O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H26N4O2/c22-11-14-1-3-18(4-2-14)25-20(23-12-19(26)27)24-13-21-8-15-5-16(9-21)7-17(6-15)10-21/h1-4,15-17H,5-10,12-13H2,(H,26,27)(H2,23,24,25)