2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(1-pyrrolidinylmethyl)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(pyrrolidin-1-ylmethyl)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-ethoxy-5-(pyrrolidinomethyl)phenyl]acetic acid Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)CN3CCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)CN3CCCC3

InChI

InChI=1S/C22H28N4O3/c1-2-29-19-12-15(14-26-9-3-4-10-26)11-17(13-19)20(22(27)28)25-18-7-5-16(6-8-18)21(23)24/h5-8,11-13,20,25H,2-4,9-10,14H2,1H3,(H3,23,24)(H,27,28)