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

Systemtic Name: ethyl 3-[[2-[[(4-cyano-2-ethyl-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-cyano-2-ethyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-cyano-2-ethylanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-cyano-2-ethylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-cyano-2-ethyl-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C30H31N5O3 MolecularWeight: 509.59884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#N)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)C#N)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C30H31N5O3/c1-4-22-17-21(19-31)11-13-25(22)32-20-28-33-26-18-23(12-14-27(26)34(28)3)30(37)35(16-15-29(36)38-5-2)24-9-7-6-8-10-24/h6-14,17-18,32H,4-5,15-16,20H2,1-3H3