(phenylmethyl) 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethanoylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethanoylamino]propanoate Openeye Name: benzyl 3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]acetyl]amino]propanoate CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-1-oxoethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[1-(4-amidinophenyl)-4-piperidyl]acetyl]amino]propionic acid benzyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)NCCC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC1CC(=O)NCCC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H30N4O3/c25-24(26)20-6-8-21(9-7-20)28-14-11-18(12-15-28)16-22(29)27-13-10-23(30)31-17-19-4-2-1-3-5-19/h1-9,18H,10-17H2,(H3,25,26)(H,27,29)