2-[2-[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butyl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[2-[4-(4-carbamimidoylanilino)-4-oxo-butyl]-1-piperidyl]acetic acid CAS Name: 2-[2-[4-(4-carbamimidoylanilino)-4-oxobutyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[2-[4-(4-carbamimidoylanilino)-4-oxobutyl]piperidin-1-yl]acetic acid Traditional Name: 2-[2-[4-(4-amidinoanilino)-4-keto-butyl]piperidino]acetic acid Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

C1CCN(C(C1)CCCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C18H26N4O3/c19-18(20)13-7-9-14(10-8-13)21-16(23)6-3-5-15-4-1-2-11-22(15)12-17(24)25/h7-10,15H,1-6,11-12H2,(H3,19,20)(H,21,23)(H,24,25)