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

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-cyclopentyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propanoate CAS Name: 3-[[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-cyclopentylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-cyclopentylamino]propanoate Traditional Name: 3-[[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-cyclopentyl-amino]propionic acid ethyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1CCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CCOC(=O)CCN(C1CCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H31N5O3/c1-3-35-26(33)14-15-32(22-6-4-5-7-22)27(34)20-10-13-24-23(16-20)30-25(31(24)2)18-29-21-11-8-19(17-28)9-12-21/h8-13,16,22,29H,3-7,14-15,18H2,1-2H3