6-[3-(4-carbamimidoylphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl]hexanoic acid

Systemtic Name: 6-[3-(4-carbamimidoylphenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl]hexanoic acid Openeye Name: 6-[3-(4-carbamimidoylphenyl)-1-methyl-2-oxo-pyrrolidin-3-yl]hexanoic acid CAS Name: 6-[3-(4-carbamimidoylphenyl)-1-methyl-2-oxo-3-pyrrolidinyl]hexanoic acid IUPAC Name: 6-[3-(4-carbamimidoylphenyl)-1-methyl-2-oxopyrrolidin-3-yl]hexanoic acid Traditional Name: 6-[3-(4-amidinophenyl)-2-keto-1-methyl-pyrrolidin-3-yl]hexanoic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1=O)(CCCCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN1CCC(C1=O)(CCCCCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H25N3O3/c1-21-12-11-18(17(21)24,10-4-2-3-5-15(22)23)14-8-6-13(7-9-14)16(19)20/h6-9H,2-5,10-12H2,1H3,(H3,19,20)(H,22,23)