4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(phenylmethyl)carbamimidoyl]benzoic acid

Systemtic Name: 4-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(phenylmethyl)carbamimidoyl]benzoic acid Openeye Name: 4-(N'-benzyl-N-tert-butoxycarbonyl-carbamimidoyl)benzoic acid CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-(phenylmethyl)iminomethyl]benzoic acid IUPAC Name: 4-[N'-benzyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]benzoic acid Traditional Name: 4-(N'-benzyl-N-tert-butoxycarbonyl-amidino)benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H22N2O4/c1-20(2,3)26-19(25)22-17(21-13-14-7-5-4-6-8-14)15-9-11-16(12-10-15)18(23)24/h4-12H,13H2,1-3H3,(H,23,24)(H,21,22,25)