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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[2-(cyclohexylmethoxy)-5-ethyl-3-propyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclohexylmethoxy)-5-ethyl-3-propyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclohexylmethoxy)-5-ethyl-3-propylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclohexylmethoxy)-5-ethyl-3-propylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[2-(cyclohexylmethoxy)-5-ethyl-3-propyl-phenyl]acetic acid Formula: C27H37N3O3 MolecularWeight: 451.60098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC3CCCCC3

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC3CCCCC3

InChI

InChI=1S/C27H37N3O3/c1-3-8-21-15-18(4-2)16-23(25(21)33-17-19-9-6-5-7-10-19)24(27(31)32)30-22-13-11-20(12-14-22)26(28)29/h11-16,19,24,30H,3-10,17H2,1-2H3,(H3,28,29)(H,31,32)