tert-butyl 2-[2-[[(4-carbamimidoylphenyl)amino]-cyano-methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[2-[[(4-carbamimidoylphenyl)amino]-cyano-methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[2-[(4-carbamimidoylanilino)-cyano-methyl]phenyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-cyanomethyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-carbamimidoylanilino)-cyanomethyl]phenyl]benzoate Traditional Name: 2-[2-[(4-amidinoanilino)-cyano-methyl]phenyl]benzoic acid tert-butyl ester Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=CC=C2C(C#N)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=CC=C2C(C#N)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H26N4O2/c1-26(2,3)32-25(31)22-11-7-5-9-20(22)19-8-4-6-10-21(19)23(16-27)30-18-14-12-17(13-15-18)24(28)29/h4-15,23,30H,1-3H3,(H3,28,29)