ethyl 4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(phenylmethyl)carbamimidoyl]benzoate

Systemtic Name: ethyl 4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(phenylmethyl)carbamimidoyl]benzoate Openeye Name: ethyl 4-(N'-benzyl-N-tert-butoxycarbonyl-carbamimidoyl)benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-(phenylmethyl)iminomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[N'-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoate Traditional Name: 4-(N'-benzyl-N-tert-butoxycarbonyl-amidino)benzoic acid ethyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=NCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=NCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N2O4/c1-5-27-20(25)18-13-11-17(12-14-18)19(24-21(26)28-22(2,3)4)23-15-16-9-7-6-8-10-16/h6-14H,5,15H2,1-4H3,(H,23,24,26)