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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-hydroxyethyloxy)-3-phenyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-phenyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-phenylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-phenylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-phenyl-phenyl]acetic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C2=CC=CC=C2)OCCO)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C(=C1)C2=CC=CC=C2)OCCO)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H27N3O4/c1-2-16-14-20(17-6-4-3-5-7-17)23(32-13-12-29)21(15-16)22(25(30)31)28-19-10-8-18(9-11-19)24(26)27/h3-11,14-15,22,28-29H,2,12-13H2,1H3,(H3,26,27)(H,30,31)