ethyl 4-(3-carbamimidoylphenyl)-2-[(6-cyano-1H-benzimidazol-2-yl)methyl]butanoate

Systemtic Name: ethyl 4-(3-carbamimidoylphenyl)-2-[(6-cyano-1H-benzimidazol-2-yl)methyl]butanoate Openeye Name: ethyl 4-(3-carbamimidoylphenyl)-2-[(6-cyano-1H-benzimidazol-2-yl)methyl]butanoate CAS Name: 4-(3-carbamimidoylphenyl)-2-[(6-cyano-1H-benzimidazol-2-yl)methyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(3-carbamimidoylphenyl)-2-[(6-cyano-1H-benzimidazol-2-yl)methyl]butanoate Traditional Name: 4-(3-amidinophenyl)-2-[(6-cyano-1H-benzimidazol-2-yl)methyl]butyric acid ethyl ester Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC(=C1)C(=N)N)CC2=NC3=C(N2)C=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC(=C1)C(=N)N)CC2=NC3=C(N2)C=C(C=C3)C#N

InChI

InChI=1S/C22H23N5O2/c1-2-29-22(28)17(8-6-14-4-3-5-16(10-14)21(24)25)12-20-26-18-9-7-15(13-23)11-19(18)27-20/h3-5,7,9-11,17H,2,6,8,12H2,1H3,(H3,24,25)(H,26,27)