[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino] 3-phenylpropanoate

Systemtic Name: [(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino] 3-phenylpropanoate Openeye Name: (4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (4-carbamimidoyl-N-[(1-carbamoylcyclopropyl)-oxomethyl]anilino) ester IUPAC Name: (4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (4-amidino-N-(1-carbamoylcyclopropanecarbonyl)anilino) ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)OC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)OC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c22-18(23)15-7-9-16(10-8-15)25(20(28)21(12-13-21)19(24)27)29-17(26)11-6-14-4-2-1-3-5-14/h1-5,7-10H,6,11-13H2,(H3,22,23)(H2,24,27)