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

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-cyclopropyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-cyclopropyl-benzimidazol-5-yl]oxycarbonylanilino)propanoate CAS Name: 3-(N-[[2-[(4-cyanoanilino)methyl]-1-cyclopropyl-5-benzimidazolyl]oxy-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-cyclopropylbenzimidazol-5-yl]oxycarbonylanilino)propanoate Traditional Name: 3-(N-[2-[(4-cyanoanilino)methyl]-1-cyclopropyl-benzimidazol-5-yl]oxycarbonylanilino)propionic acid ethyl ester Formula: C30H29N5O4 MolecularWeight: 523.58236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=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)OC2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C#N)C5CC5

InChI

InChI=1S/C30H29N5O4/c1-2-38-29(36)16-17-34(23-6-4-3-5-7-23)30(37)39-25-14-15-27-26(18-25)33-28(35(27)24-12-13-24)20-32-22-10-8-21(19-31)9-11-22/h3-11,14-15,18,24,32H,2,12-13,16-17,20H2,1H3