ethyl 2-[[3-oxidanyl-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[3-oxidanyl-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[3-hydroxy-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-hydroxy-1-oxo-3-(2-phenethyl-1H-benzimidazol-4-yl)propyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[3-hydroxy-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[3-hydroxy-3-(2-phenethyl-1H-benzimidazol-4-yl)propanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CC(C2=C3C(=CC=C2)NC(=N3)CCC4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)CC(C2=C3C(=CC=C2)NC(=N3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C29H31N3O4/c1-2-36-29(35)24(18-21-12-7-4-8-13-21)31-27(34)19-25(33)22-14-9-15-23-28(22)32-26(30-23)17-16-20-10-5-3-6-11-20/h3-15,24-25,33H,2,16-19H2,1H3,(H,30,32)(H,31,34)