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

Systemtic Name: ethyl 3-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-[N-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl]anilino]propanoate CAS Name: 3-(N-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxy-oxomethyl]anilino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[N-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl]anilino]propanoate Traditional Name: 3-[N-[[3-[(4-cyanophenyl)-(methylamino)methyl]-1-methyl-2H-benzimidazol-5-yl]oxycarbonyl]anilino]propionic acid ethyl ester Formula: C29H31N5O4 MolecularWeight: 513.58754

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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(CN3C(C4=CC=C(C=C4)C#N)NC)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)N(CN3C(C4=CC=C(C=C4)C#N)NC)C

InChI

InChI=1S/C29H31N5O4/c1-4-37-27(35)16-17-33(23-8-6-5-7-9-23)29(36)38-24-14-15-25-26(18-24)34(20-32(25)3)28(31-2)22-12-10-21(19-30)11-13-22/h5-15,18,28,31H,4,16-17,20H2,1-3H3