N-(2-azanylethyl)-N-[2-(4-carbamimidoylphenoxy)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-N-[2-(4-carbamimidoylphenoxy)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-N-[2-(4-carbamimidoylphenoxy)acetyl]pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-N-[2-(4-carbamimidoylphenoxy)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-N-[2-(4-carbamimidoylphenoxy)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-[2-(4-amidinophenoxy)acetyl]-N-(2-aminoethyl)pyrrolidine-2-carboxamide Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(CCN)C(=O)COC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CC(NC1)C(=O)N(CCN)C(=O)COC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H23N5O3/c17-7-9-21(16(23)13-2-1-8-20-13)14(22)10-24-12-5-3-11(4-6-12)15(18)19/h3-6,13,20H,1-2,7-10,17H2,(H3,18,19)