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

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]piperidin-1-yl]propanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-1-piperidyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-1-piperidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]piperidin-1-yl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]piperidino]propionic acid methyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2CCN(CC2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=C(C(=O)N(C1)C2CCN(CC2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H28N4O4/c1-28-17-13-25(16-7-10-24(11-8-16)12-9-18(26)29-2)21(27)19(17)14-3-5-15(6-4-14)20(22)23/h3-6,16H,7-13H2,1-2H3,(H3,22,23)