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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]piperidin-1-yl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-1-piperidyl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-1-piperidinyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]piperidin-1-yl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]piperidino]propionic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-28-16-12-24(15-6-9-23(10-7-15)11-8-17(25)26)20(27)18(16)13-2-4-14(5-3-13)19(21)22/h2-5,15H,6-12H2,1H3,(H3,21,22)(H,25,26)