ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-cyclopropyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-cyclopropyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-cyclopropyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-cyclopropyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-cyclopropylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-amidinoanilino)methyl]-1-cyclopropyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C30H32N6O3 MolecularWeight: 524.61348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C5CC5

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C5CC5

InChI

InChI=1S/C30H32N6O3/c1-2-39-28(37)16-17-35(23-6-4-3-5-7-23)30(38)21-10-15-26-25(18-21)34-27(36(26)24-13-14-24)19-33-22-11-8-20(9-12-22)29(31)32/h3-12,15,18,24,33H,2,13-14,16-17,19H2,1H3,(H3,31,32)