2-[[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-phenylmethoxycarbonyl-amino]ethanoate; 3-phenyloxiran-2-one

Systemtic Name: 2-[[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]-phenylmethoxycarbonyl-amino]ethanoate; 3-phenyloxiran-2-one Openeye Name: 2-[N-benzyloxycarbonyl-4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]anilino]acetate; 3-phenyloxiran-2-one CAS Name: 2-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-N-phenylmethoxycarbonylanilino]acetate; 3-phenyl-2-oxiranone IUPAC Name: 2-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-N-phenylmethoxycarbonylanilino]acetate; 3-phenyloxiran-2-one Traditional Name: 2-[4-[(5-amidinobenzofuran-2-carbonyl)amino]-N-carbobenzoxy-anilino]acetate; 3-phenyloxiran-2-one Formula: C34H27N4O8- MolecularWeight: 619.60018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CC(=O)[O-])C2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N.C1=CC=C(C=C1)C2C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CC(=O)[O-])C2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C(=N)N.C1=CC=C(C=C1)C2C(=O)O2

InChI

InChI=1S/C26H22N4O6.C8H6O2/c27-24(28)17-6-11-21-18(12-17)13-22(36-21)25(33)29-19-7-9-20(10-8-19)30(14-23(31)32)26(34)35-15-16-4-2-1-3-5-16;9-8-7(10-8)6-4-2-1-3-5-6/h1-13H,14-15H2,(H3,27,28)(H,29,33)(H,31,32);1-5,7H/p-1