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

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-cyclopropyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-cyclopropyl-benzimidazole-5-carbonyl]anilino)propanoate CAS Name: 3-(N-[[2-[(4-cyanoanilino)methyl]-1-cyclopropyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-cyclopropylbenzimidazole-5-carbonyl]anilino)propanoate Traditional Name: 3-(N-[2-[(4-cyanoanilino)methyl]-1-cyclopropyl-benzimidazole-5-carbonyl]anilino)propionic acid ethyl ester Formula: C30H29N5O3 MolecularWeight: 507.58296

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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)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)C5CC5

InChI

InChI=1S/C30H29N5O3/c1-2-38-29(36)16-17-34(24-6-4-3-5-7-24)30(37)22-10-15-27-26(18-22)33-28(35(27)25-13-14-25)20-32-23-11-8-21(19-31)9-12-23/h3-12,15,18,25,32H,2,13-14,16-17,20H2,1H3