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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(5-ethyl-2-prop-2-ynoxy-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(5-ethyl-2-prop-2-ynoxy-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(5-ethyl-2-prop-2-ynoxyphenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(5-ethyl-2-prop-2-ynoxyphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(5-ethyl-2-propargyloxy-phenyl)acetic acid Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-3-11-26-17-10-5-13(4-2)12-16(17)18(20(24)25)23-15-8-6-14(7-9-15)19(21)22/h1,5-10,12,18,23H,4,11H2,2H3,(H3,21,22)(H,24,25)