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

Systemtic Name: 2-[[[(4-cyanophenyl)amino]-(cycloheptylamino)methylidene]amino]ethanoic acid Openeye Name: 2-[[(4-cyanoanilino)-(cycloheptylamino)methylene]amino]acetic acid CAS Name: 2-[[(4-cyanoanilino)-(cycloheptylamino)methylidene]amino]acetic acid IUPAC Name: 2-[[(4-cyanoanilino)-(cycloheptylamino)methylidene]amino]acetic acid Traditional Name: 2-[[(4-cyanoanilino)-(cycloheptylamino)methylene]amino]acetic acid Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=NCC(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCC(CC1)NC(=NCC(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H22N4O2/c18-11-13-7-9-15(10-8-13)21-17(19-12-16(22)23)20-14-5-3-1-2-4-6-14/h7-10,14H,1-6,12H2,(H,22,23)(H2,19,20,21)