N-[(4-carbamimidoylphenyl)methyl]-4-ethoxy-1-piperidin-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-4-ethoxy-1-piperidin-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-4-ethoxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-4-ethoxy-1-[oxo(2-piperidinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-4-ethoxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-4-ethoxy-1-pipecoloyl-pyrrolidine-2-carboxamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(N(C1)C(=O)C2CCCCN2)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1CC(N(C1)C(=O)C2CCCCN2)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H31N5O3/c1-2-29-16-11-18(26(13-16)21(28)17-5-3-4-10-24-17)20(27)25-12-14-6-8-15(9-7-14)19(22)23/h6-9,16-18,24H,2-5,10-13H2,1H3,(H3,22,23)(H,25,27)