(2-butyl-3H-benzimidazol-5-yl)carbamoyl 2-azanyl-3-(3-cyanophenyl)propanoate

Systemtic Name: (2-butyl-3H-benzimidazol-5-yl)carbamoyl 2-azanyl-3-(3-cyanophenyl)propanoate Openeye Name: (2-butyl-3H-benzimidazol-5-yl)carbamoyl 2-amino-3-(3-cyanophenyl)propanoate CAS Name: 2-amino-3-(3-cyanophenyl)propanoic acid [[(2-butyl-3H-benzimidazol-5-yl)amino]-oxomethyl] ester IUPAC Name: (2-butyl-3H-benzimidazol-5-yl)carbamoyl 2-amino-3-(3-cyanophenyl)propanoate Traditional Name: 2-amino-3-(3-cyanophenyl)propionic acid (2-butyl-3H-benzimidazol-5-yl)carbamoyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C=C(C=C2)NC(=O)OC(=O)C(CC3=CC=CC(=C3)C#N)N

Isomeric SMILES

CCCCC1=NC2=C(N1)C=C(C=C2)NC(=O)OC(=O)C(CC3=CC=CC(=C3)C#N)N

InChI

InChI=1S/C22H23N5O3/c1-2-3-7-20-26-18-9-8-16(12-19(18)27-20)25-22(29)30-21(28)17(24)11-14-5-4-6-15(10-14)13-23/h4-6,8-10,12,17H,2-3,7,11,24H2,1H3,(H,25,29)(H,26,27)