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

Systemtic Name: (phenylmethyl) N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-[3-(3-carbamimidoylphenoxy)propylamino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[3-(3-carbamimidoylphenoxy)propylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[3-(3-amidinophenoxy)propylamino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCOC1=CC=CC(=C1)C(=N)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCCCOC1=CC=CC(=C1)C(=N)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O4/c1-15(25-21(27)29-14-16-7-3-2-4-8-16)20(26)24-11-6-12-28-18-10-5-9-17(13-18)19(22)23/h2-5,7-10,13,15H,6,11-12,14H2,1H3,(H3,22,23)(H,24,26)(H,25,27)