2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-4-methoxy-phenyl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-4-methoxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-4-methoxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-4-methoxyphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-4-methoxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-4-methoxy-phenyl)acetic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-3-25-15-10-12(6-9-14(15)24-2)16(18(22)23)21-13-7-4-11(5-8-13)17(19)20/h4-10,16,21H,3H2,1-2H3,(H3,19,20)(H,22,23)