2-[3-butan-2-yl-5-ethyl-2-(2-hydroxyethyloxy)phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: 2-[3-butan-2-yl-5-ethyl-2-(2-hydroxyethyloxy)phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-sec-butyl-phenyl]acetate CAS Name: 2-[3-butan-2-yl-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetate IUPAC Name: 2-[3-butan-2-yl-5-ethyl-2-(2-hydroxyethoxy)phenyl]-2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)-2-[5-ethyl-2-(2-hydroxyethoxy)-3-sec-butyl-phenyl]acetate Formula: C23H30N3O4- MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(C)CC)OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(C)CC)OCCO)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C23H31N3O4/c1-4-14(3)18-12-15(5-2)13-19(21(18)30-11-10-27)20(23(28)29)26-17-8-6-16(7-9-17)22(24)25/h6-9,12-14,20,26-27H,4-5,10-11H2,1-3H3,(H3,24,25)(H,28,29)/p-1