methyl 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethanoyl-2-ethoxy-5-ethyl-phenyl)ethanoate

Systemtic Name: methyl 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethanoyl-2-ethoxy-5-ethyl-phenyl)ethanoate Openeye Name: methyl 2-(3-acetyl-2-ethoxy-5-ethyl-phenyl)-2-(4-carbamimidoylanilino)acetate CAS Name: 2-(3-acetyl-2-ethoxy-5-ethylphenyl)-2-(4-carbamimidoylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-acetyl-2-ethoxy-5-ethylphenyl)-2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(3-acetyl-2-ethoxy-5-ethyl-phenyl)-2-(4-amidinoanilino)acetic acid methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(=O)C)OCC)C(C(=O)OC)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(=O)C)OCC)C(C(=O)OC)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H27N3O4/c1-5-14-11-17(13(3)26)20(29-6-2)18(12-14)19(22(27)28-4)25-16-9-7-15(8-10-16)21(23)24/h7-12,19,25H,5-6H2,1-4H3,(H3,23,24)