N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[2-(cyclooctylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[2-(cyclooctylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-1-[2-(cyclooctylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-2-methoxy-benzyl)-1-[2-(cyclooctylamino)acetyl]pyrrolidine-2-carboxamide Formula: C24H37N5O3 MolecularWeight: 443.58228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)CNC3CCCCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)CNC3CCCCCCC3

InChI

InChI=1S/C24H37N5O3/c1-32-21-14-17(23(25)26)11-12-18(21)15-28-24(31)20-10-7-13-29(20)22(30)16-27-19-8-5-3-2-4-6-9-19/h11-12,14,19-20,27H,2-10,13,15-16H2,1H3,(H3,25,26)(H,28,31)