N-[(4-carbamimidoyl-2-ethoxy-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-2-ethoxy-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-2-ethoxy-phenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-2-ethoxyphenyl)methyl]-1-[2-(cyclohexylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-2-ethoxyphenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-2-ethoxy-benzyl)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)CNC3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)CNC3CCCCC3

InChI

InChI=1S/C23H35N5O3/c1-2-31-20-13-16(22(24)25)10-11-17(20)14-27-23(30)19-9-6-12-28(19)21(29)15-26-18-7-4-3-5-8-18/h10-11,13,18-19,26H,2-9,12,14-15H2,1H3,(H3,24,25)(H,27,30)