[2-[(4-carbamimidoylphenyl)amino]-1-ethanoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidin-3-yl] hydrogen carbonate

Systemtic Name: [2-[(4-carbamimidoylphenyl)amino]-1-ethanoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidin-3-yl] hydrogen carbonate Openeye Name: [1-acetyl-2-(4-benzyloxy-3-methoxy-phenyl)-2-(4-carbamimidoylanilino)pyrrolidin-3-yl] hydrogen carbonate CAS Name: carbonic acid [1-acetyl-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)-3-pyrrolidinyl] ester IUPAC Name: [1-acetyl-2-(4-carbamimidoylanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-acetyl-2-(4-amidinoanilino)-2-(4-benzoxy-3-methoxy-phenyl)pyrrolidin-3-yl] ester Formula: C28H30N4O6 MolecularWeight: 518.561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)NC4=CC=C(C=C4)C(=N)N)OC(=O)O

Isomeric SMILES

CC(=O)N1CCC(C1(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)NC4=CC=C(C=C4)C(=N)N)OC(=O)O

InChI

InChI=1S/C28H30N4O6/c1-18(33)32-15-14-25(38-27(34)35)28(32,31-22-11-8-20(9-12-22)26(29)30)21-10-13-23(24(16-21)36-2)37-17-19-6-4-3-5-7-19/h3-13,16,25,31H,14-15,17H2,1-2H3,(H3,29,30)(H,34,35)