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

Systemtic Name: ethyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]piperidin-1-yl]propanoate; 3-phenyloxiran-2-one Openeye Name: ethyl 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]-1-piperidyl]propanoate; 3-phenyloxiran-2-one CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-1-piperidinyl]propanoic acid ethyl ester; 3-phenyl-2-oxiranone IUPAC Name: ethyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]piperidin-1-yl]propanoate; 3-phenyloxiran-2-one Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]piperidino]propionic acid ethyl ester; 3-phenyloxiran-2-one Formula: C28H32N4O6 MolecularWeight: 520.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N.C1=CC=C(C=C1)C2C(=O)O2

Isomeric SMILES

CCOC(=O)CCN1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N.C1=CC=C(C=C1)C2C(=O)O2

InChI

InChI=1S/C20H26N4O4.C8H6O2/c1-2-27-18(25)7-10-24-8-5-15(6-9-24)23-20(26)17-12-14-11-13(19(21)22)3-4-16(14)28-17;9-8-7(10-8)6-4-2-1-3-5-6/h3-4,11-12,15H,2,5-10H2,1H3,(H3,21,22)(H,23,26);1-5,7H