methyl 3-[4-[1-(5-carbamimidoylpyridin-2-yl)-2-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-[4-[1-(5-carbamimidoylpyridin-2-yl)-2-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(5-carbamimidoyl-2-pyridyl)-2-oxo-pyrrolidin-3-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(5-carbamimidoyl-2-pyridinyl)-2-oxo-3-pyrrolidinyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(5-carbamimidoylpyridin-2-yl)-2-oxopyrrolidin-3-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(5-amidino-2-pyridyl)-2-keto-pyrrolidin-3-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C20H23ClN4O3 MolecularWeight: 402.87462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2CCN(C2=O)C3=NC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2CCN(C2=O)C3=NC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H22N4O3.ClH/c1-27-18(25)9-4-13-2-5-14(6-3-13)16-10-11-24(20(16)26)17-8-7-15(12-23-17)19(21)22;/h2-3,5-8,12,16H,4,9-11H2,1H3,(H3,21,22);1H