2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-4-(2-methyl-2-oxidanyl-propoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-4-(2-methyl-2-oxidanyl-propoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(2-hydroxy-2-methyl-propoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(2-hydroxy-2-methylpropoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-4-(2-hydroxy-2-methylpropoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-4-(2-hydroxy-2-methyl-propoxy)phenyl]acetic acid Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC(C)(C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)OCC(C)(C)O

InChI

InChI=1S/C21H27N3O5/c1-4-28-17-11-14(7-10-16(17)29-12-21(2,3)27)18(20(25)26)24-15-8-5-13(6-9-15)19(22)23/h5-11,18,24,27H,4,12H2,1-3H3,(H3,22,23)(H,25,26)