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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1(NC2=CC=C(C=C2)C(=N)N)OC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(=O)N1CCC(C1(NC2=CC=C(C=C2)C(=N)N)OC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

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