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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-chloranyl-2-(2-hydroxyethyloxy)-3-phenethyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-phenethyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-phenethylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-phenethylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-chloro-2-(2-hydroxyethoxy)-3-phenethyl-phenyl]acetic acid Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=CC(=C2OCCO)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=CC(=C2OCCO)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N)Cl

InChI

InChI=1S/C25H26ClN3O4/c26-19-14-18(7-6-16-4-2-1-3-5-16)23(33-13-12-30)21(15-19)22(25(31)32)29-20-10-8-17(9-11-20)24(27)28/h1-5,8-11,14-15,22,29-30H,6-7,12-13H2,(H3,27,28)(H,31,32)