[4-(3-aminophenyl)-2-(2-hydroxyethyloxy)-5-methoxy-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate

Systemtic Name: [4-(3-aminophenyl)-2-(2-hydroxyethyloxy)-5-methoxy-phenyl] 2-[(4-carbamimidoylphenyl)amino]ethanoate Openeye Name: [4-(3-aminophenyl)-2-(2-hydroxyethoxy)-5-methoxy-phenyl] 2-(4-carbamimidoylanilino)acetate CAS Name: 2-(4-carbamimidoylanilino)acetic acid [4-(3-aminophenyl)-2-(2-hydroxyethoxy)-5-methoxyphenyl] ester IUPAC Name: [4-(3-aminophenyl)-2-(2-hydroxyethoxy)-5-methoxyphenyl] 2-(4-carbamimidoylanilino)acetate Traditional Name: 2-(4-amidinoanilino)acetic acid [4-(3-aminophenyl)-2-(2-hydroxyethoxy)-5-methoxy-phenyl] ester Formula: C24H26N4O5 MolecularWeight: 450.48704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC(=CC=C2)N)OCCO)OC(=O)CNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC(=CC=C2)N)OCCO)OC(=O)CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H26N4O5/c1-31-20-13-22(33-23(30)14-28-18-7-5-15(6-8-18)24(26)27)21(32-10-9-29)12-19(20)16-3-2-4-17(25)11-16/h2-8,11-13,28-29H,9-10,14,25H2,1H3,(H3,26,27)