3-[4-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoic acid hydrochloride

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]phenyl]propionic acid hydrochloride Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

C1CN(C(=O)C1C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H21N3O3.ClH/c21-19(22)15-6-8-16(9-7-15)23-12-11-17(20(23)26)14-4-1-13(2-5-14)3-10-18(24)25;/h1-2,4-9,17H,3,10-12H2,(H3,21,22)(H,24,25);1H