2-[(3-carbamimidoylphenyl)carbonyl-phenyl-amino]ethanoic acid; piperidine-1-carboxamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)carbonyl-phenyl-amino]ethanoic acid; piperidine-1-carboxamide Openeye Name: 2-(N-(3-carbamimidoylbenzoyl)anilino)acetic acid; piperidine-1-carboxamide CAS Name: 2-(N-[(3-carbamimidoylphenyl)-oxomethyl]anilino)acetic acid; 1-piperidinecarboxamide IUPAC Name: 2-(N-(3-carbamimidoylbenzoyl)anilino)acetic acid; piperidine-1-carboxamide Traditional Name: 2-(N-(3-amidinobenzoyl)anilino)acetic acid; piperidine-1-carboxamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC=CC(=C2)C(=N)N

Isomeric SMILES

C1CCN(CC1)C(=O)N.C1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C16H15N3O3.C6H12N2O/c17-15(18)11-5-4-6-12(9-11)16(22)19(10-14(20)21)13-7-2-1-3-8-13;7-6(9)8-4-2-1-3-5-8/h1-9H,10H2,(H3,17,18)(H,20,21);1-5H2,(H2,7,9)