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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-propan-2-yloxyethoxy)-3-propyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-isopropoxyethoxy)-3-propyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-propan-2-yloxyethoxy)-3-propylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-propan-2-yloxyethoxy)-3-propylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethyl-2-(2-isopropoxyethoxy)-3-propyl-phenyl]acetic acid Formula: C25H35N3O4 MolecularWeight: 441.5631

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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)OCCOC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4/c1-5-7-19-14-17(6-2)15-21(23(19)32-13-12-31-16(3)4)22(25(29)30)28-20-10-8-18(9-11-20)24(26)27/h8-11,14-16,22,28H,5-7,12-13H2,1-4H3,(H3,26,27)(H,29,30)