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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(cyclopropylmethoxy)-5-ethoxy-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclopropylmethoxy)-5-ethoxy-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclopropylmethoxy)-5-ethoxyphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(cyclopropylmethoxy)-5-ethoxyphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-(cyclopropylmethoxy)-5-ethoxy-phenyl]acetic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)OCC2CC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)OCC2CC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H25N3O4/c1-2-27-17-9-15(10-18(11-17)28-12-13-3-4-13)19(21(25)26)24-16-7-5-14(6-8-16)20(22)23/h5-11,13,19,24H,2-4,12H2,1H3,(H3,22,23)(H,25,26)