2-(4-carbamimidoylphenyl)carbonylimino-1-(1-phenylcyclopropyl)cyclopropane-1-carboxylic acid

Systemtic Name: 2-(4-carbamimidoylphenyl)carbonylimino-1-(1-phenylcyclopropyl)cyclopropane-1-carboxylic acid Openeye Name: 2-(4-carbamimidoylbenzoyl)imino-1-(1-phenylcyclopropyl)cyclopropanecarboxylic acid CAS Name: 2-[(4-carbamimidoylphenyl)-oxomethyl]imino-1-(1-phenylcyclopropyl)-1-cyclopropanecarboxylic acid IUPAC Name: 2-(4-carbamimidoylbenzoyl)imino-1-(1-phenylcyclopropyl)cyclopropane-1-carboxylic acid Traditional Name: 2-(4-amidinobenzoyl)imino-1-(1-phenylcyclopropyl)cyclopropanecarboxylic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C3(CC3=NC(=O)C4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C3(CC3=NC(=O)C4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C21H19N3O3/c22-17(23)13-6-8-14(9-7-13)18(25)24-16-12-21(16,19(26)27)20(10-11-20)15-4-2-1-3-5-15/h1-9H,10-12H2,(H3,22,23)(H,26,27)