2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(3-oxidanylpropoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4,5-diethoxy-2-(3-oxidanylpropoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(3-hydroxypropoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(3-hydroxypropoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4,5-diethoxy-2-(3-hydroxypropoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[4,5-diethoxy-2-(3-hydroxypropoxy)phenyl]acetic acid Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6/c1-3-29-18-12-16(17(31-11-5-10-26)13-19(18)30-4-2)20(22(27)28)25-15-8-6-14(7-9-15)21(23)24/h6-9,12-13,20,25-26H,3-5,10-11H2,1-2H3,(H3,23,24)(H,27,28)