2-[(4-carbamimidoylphenyl)amino]-2-[2-(2-hydroxyethyloxy)-3-methyl-5-propyl-phenyl]ethanoate

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[2-(2-hydroxyethyloxy)-3-methyl-5-propyl-phenyl]ethanoate Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethoxy)-3-methyl-5-propyl-phenyl]acetate CAS Name: 2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethoxy)-3-methyl-5-propylphenyl]acetate IUPAC Name: 2-(4-carbamimidoylanilino)-2-[2-(2-hydroxyethoxy)-3-methyl-5-propylphenyl]acetate Traditional Name: 2-(4-amidinoanilino)-2-[2-(2-hydroxyethoxy)-3-methyl-5-propyl-phenyl]acetate Formula: C21H26N3O4- MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCCO)C

Isomeric SMILES

CCCC1=CC(=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCCO)C

InChI

InChI=1S/C21H27N3O4/c1-3-4-14-11-13(2)19(28-10-9-25)17(12-14)18(21(26)27)24-16-7-5-15(6-8-16)20(22)23/h5-8,11-12,18,24-25H,3-4,9-10H2,1-2H3,(H3,22,23)(H,26,27)/p-1