piperidin-1-yl 2-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]propanoate

Systemtic Name: piperidin-1-yl 2-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]propanoate Openeye Name: 1-piperidyl 2-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]propanoate CAS Name: 2-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]propanoic acid 1-piperidinyl ester IUPAC Name: piperidin-1-yl 2-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]propanoate Traditional Name: 2-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]propionic acid piperidino ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ON1CCCCC1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CC(C(=O)ON1CCCCC1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C25H28N4O4/c1-16(25(31)33-29-12-6-3-7-13-29)28-24(30)22-21(23(26)27)19-15-18(10-11-20(19)32-22)14-17-8-4-2-5-9-17/h2,4-5,8-11,15-16H,3,6-7,12-14H2,1H3,(H3,26,27)(H,28,30)