2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(3-methyl-2-oxidanylidene-butoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(3-methyl-2-oxidanylidene-butoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(3-methyl-2-oxo-butoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(3-methyl-2-oxobutoxy)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(3-methyl-2-oxobutoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(2-keto-3-methyl-butoxy)phenyl]acetic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-4-29-17-9-15(10-18(11-17)30-12-19(26)13(2)3)20(22(27)28)25-16-7-5-14(6-8-16)21(23)24/h5-11,13,20,25H,4,12H2,1-3H3,(H3,23,24)(H,27,28)