(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid (2-keto-2-morpholino-ethyl) ester Formula: C27H30N4O6 MolecularWeight: 506.5503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OCC(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OCC(=O)N4CCOCC4

InChI

InChI=1S/C27H30N4O6/c1-35-22-16-31(21-9-7-20(8-10-21)26(28)29)27(34)25(22)19-5-2-18(3-6-19)4-11-24(33)37-17-23(32)30-12-14-36-15-13-30/h2-3,5-10H,4,11-17H2,1H3,(H3,28,29)