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

Systemtic Name: methyl 3-[4-[1-(1-carbamimidoylpiperidin-4-yl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(1-carbamimidoyl-4-piperidyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(1-carbamimidoyl-4-piperidinyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(1-carbamimidoylpiperidin-4-yl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(1-amidino-4-piperidyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]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)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

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

InChI

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