methyl 3-[1-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-4-phenyl-2H-pyrrol-3-yl]piperidin-4-yl]propanoate

Systemtic Name: methyl 3-[1-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-4-phenyl-2H-pyrrol-3-yl]piperidin-4-yl]propanoate Openeye Name: methyl 3-[1-[1-(4-carbamimidoylphenyl)-5-oxo-4-phenyl-2H-pyrrol-3-yl]-4-piperidyl]propanoate CAS Name: 3-[1-[1-(4-carbamimidoylphenyl)-5-oxo-4-phenyl-2H-pyrrol-3-yl]-4-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[1-(4-carbamimidoylphenyl)-5-oxo-4-phenyl-2H-pyrrol-3-yl]piperidin-4-yl]propanoate Traditional Name: 3-[1-[1-(4-amidinophenyl)-5-keto-4-phenyl-3-pyrrolin-3-yl]-4-piperidyl]propionic acid methyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCN(CC1)C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC1CCN(CC1)C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-33-23(31)12-7-18-13-15-29(16-14-18)22-17-30(21-10-8-20(9-11-21)25(27)28)26(32)24(22)19-5-3-2-4-6-19/h2-6,8-11,18H,7,12-17H2,1H3,(H3,27,28)