ethyl 3-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]piperidin-1-yl]propanoate

Systemtic Name: ethyl 3-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]piperidin-1-yl]propanoate Openeye Name: ethyl 3-[4-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]-1-piperidyl]propanoate CAS Name: 3-[4-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]-1-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]piperidin-1-yl]propanoate Traditional Name: 3-[4-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]piperidino]propionic acid ethyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC(CC1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CCOC(=O)CCN1CCC(CC1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C27H32N4O4/c1-2-34-23(32)12-15-31-13-10-20(11-14-31)30-27(33)25-24(26(28)29)21-17-19(8-9-22(21)35-25)16-18-6-4-3-5-7-18/h3-9,17,20H,2,10-16H2,1H3,(H3,28,29)(H,30,33)