2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]cyclohexyl]ethanoic acid Openeye Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]cyclohexyl]acetic acid CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]cyclohexyl]acetic acid IUPAC Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]cyclohexyl]acetic acid Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]cyclohexyl]acetic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

C1CC(CCC1CCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C18H25N3O3/c19-18(20)14-6-8-15(9-7-14)21-16(22)10-5-12-1-3-13(4-2-12)11-17(23)24/h6-9,12-13H,1-5,10-11H2,(H3,19,20)(H,21,22)(H,23,24)