tert-butyl 2-[2-[1-[(4-carbamimidoylphenyl)amino]-2-(methylamino)-2-oxidanylidene-ethyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[2-[1-[(4-carbamimidoylphenyl)amino]-2-(methylamino)-2-oxidanylidene-ethyl]phenyl]benzoate Openeye Name: tert-butyl 2-[2-[1-(4-carbamimidoylanilino)-2-(methylamino)-2-oxo-ethyl]phenyl]benzoate CAS Name: 2-[2-[1-(4-carbamimidoylanilino)-2-(methylamino)-2-oxoethyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[1-(4-carbamimidoylanilino)-2-(methylamino)-2-oxoethyl]phenyl]benzoate Traditional Name: 2-[2-[1-(4-amidinoanilino)-2-keto-2-(methylamino)ethyl]phenyl]benzoic acid tert-butyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O3/c1-27(2,3)34-26(33)22-12-8-6-10-20(22)19-9-5-7-11-21(19)23(25(32)30-4)31-18-15-13-17(14-16-18)24(28)29/h5-16,23,31H,1-4H3,(H3,28,29)(H,30,32)