(phenylmethyl) N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: benzyl N-[1-benzyl-2-[3-(3-carbamimidoylphenoxy)propylamino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[2-[3-(3-amidinophenoxy)propylamino]-1-benzyl-2-keto-ethyl]carbamic acid benzyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCCOC2=CC=CC(=C2)C(=N)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCCOC2=CC=CC(=C2)C(=N)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H30N4O4/c28-25(29)22-13-7-14-23(18-22)34-16-8-15-30-26(32)24(17-20-9-3-1-4-10-20)31-27(33)35-19-21-11-5-2-6-12-21/h1-7,9-14,18,24H,8,15-17,19H2,(H3,28,29)(H,30,32)(H,31,33)