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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[2-(cyclopropylmethoxy)-5-ethyl-phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclopropylmethoxy)-5-ethyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclopropylmethoxy)-5-ethylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[2-(cyclopropylmethoxy)-5-ethylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[2-(cyclopropylmethoxy)-5-ethyl-phenyl]acetic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2CC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2CC2)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H25N3O3/c1-2-13-5-10-18(27-12-14-3-4-14)17(11-13)19(21(25)26)24-16-8-6-15(7-9-16)20(22)23/h5-11,14,19,24H,2-4,12H2,1H3,(H3,22,23)(H,25,26)