1-[4-(3-carbamimidoylphenoxy)pyrrolidin-2-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4-(3-carbamimidoylphenoxy)pyrrolidin-2-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-(3-carbamimidoylphenoxy)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(3-carbamimidoylphenoxy)-2-pyrrolidinyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(3-carbamimidoylphenoxy)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(3-amidinophenoxy)prolyl]nipecotic acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CC(CN2)OC3=CC=CC(=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2CC(CN2)OC3=CC=CC(=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C18H24N4O4/c19-16(20)11-3-1-5-13(7-11)26-14-8-15(21-9-14)17(23)22-6-2-4-12(10-22)18(24)25/h1,3,5,7,12,14-15,21H,2,4,6,8-10H2,(H3,19,20)(H,24,25)