2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-1-piperidyl]-2-phenyl-acetic acid CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperidinyl]-2-phenylacetic acid IUPAC Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperidin-1-yl]-2-phenylacetic acid Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]piperidino]-2-phenyl-acetic acid Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28N4O3/c24-22(25)18-7-9-19(10-8-18)26-20(28)11-6-16-12-14-27(15-13-16)21(23(29)30)17-4-2-1-3-5-17/h1-5,7-10,16,21H,6,11-15H2,(H3,24,25)(H,26,28)(H,29,30)