2-[(4-carbamimidoylphenyl)amino]-2-[3-(cyclohexylmethoxy)-5-ethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(cyclohexylmethoxy)-5-ethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclohexylmethoxy)-5-ethoxy-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclohexylmethoxy)-5-ethoxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclohexylmethoxy)-5-ethoxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-(cyclohexylmethoxy)-5-ethoxy-phenyl]acetic acid Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OCC2CCCCC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OCC2CCCCC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H31N3O4/c1-2-30-20-12-18(13-21(14-20)31-15-16-6-4-3-5-7-16)22(24(28)29)27-19-10-8-17(9-11-19)23(25)26/h8-14,16,22,27H,2-7,15H2,1H3,(H3,25,26)(H,28,29)