2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-prop-2-ynoxy-phenyl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-prop-2-ynoxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-prop-2-ynoxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-prop-2-ynoxyphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethoxy-5-prop-2-ynoxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethoxy-5-propargyloxy-phenyl)acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OCC#C)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OCC#C)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H21N3O4/c1-3-9-27-17-11-14(10-16(12-17)26-4-2)18(20(24)25)23-15-7-5-13(6-8-15)19(21)22/h1,5-8,10-12,18,23H,4,9H2,2H3,(H3,21,22)(H,24,25)