methyl 2-[3-[2-(4-carbamimidoylphenyl)ethanoylamino]-4-methyl-phenoxy]ethanoate ethanoate

Systemtic Name: methyl 2-[3-[2-(4-carbamimidoylphenyl)ethanoylamino]-4-methyl-phenoxy]ethanoate ethanoate Openeye Name: methyl 2-[3-[[2-(4-carbamimidoylphenyl)acetyl]amino]-4-methyl-phenoxy]acetate acetate CAS Name: 2-[3-[[2-(4-carbamimidoylphenyl)-1-oxoethyl]amino]-4-methylphenoxy]acetic acid methyl ester acetate IUPAC Name: methyl 2-[3-[[2-(4-carbamimidoylphenyl)acetyl]amino]-4-methylphenoxy]acetate acetate Traditional Name: 2-[3-[[2-(4-amidinophenyl)acetyl]amino]-4-methyl-phenoxy]acetic acid methyl ester acetate Formula: C21H24N3O6- MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)OC)NC(=O)CC2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)OC)NC(=O)CC2=CC=C(C=C2)C(=N)N.CC(=O)[O-]

InChI

InChI=1S/C19H21N3O4.C2H4O2/c1-12-3-8-15(26-11-18(24)25-2)10-16(12)22-17(23)9-13-4-6-14(7-5-13)19(20)21;1-2(3)4/h3-8,10H,9,11H2,1-2H3,(H3,20,21)(H,22,23);1H3,(H,3,4)/p-1