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

Systemtic Name: 2-[4-[3-[(4-carbamimidoylphenyl)amino]-2-methyl-3-oxidanylidene-propyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(4-carbamimidoylanilino)-2-methyl-3-oxo-propyl]-1-piperidyl]acetic acid CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-2-methyl-3-oxopropyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[3-(4-carbamimidoylanilino)-2-methyl-3-oxopropyl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-2-methyl-propyl]piperidino]acetic acid Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CCN(CC1)CC(=O)O)C(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CC1CCN(CC1)CC(=O)O)C(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H26N4O3/c1-12(10-13-6-8-22(9-7-13)11-16(23)24)18(25)21-15-4-2-14(3-5-15)17(19)20/h2-5,12-13H,6-11H2,1H3,(H3,19,20)(H,21,25)(H,23,24)