methyl 2-[(3,3-dimethyl-2-oxidanylidene-butyl)-(3-phenylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[(3,3-dimethyl-2-oxidanylidene-butyl)-(3-phenylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[(3,3-dimethyl-2-oxo-butyl)-(3-phenylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)-(1-oxo-3-phenylpropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[(3,3-dimethyl-2-oxobutyl)-(3-phenylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[hydrocinnamoyl-(2-keto-3,3-dimethyl-butyl)amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN(C(CC1=CN=CN1)C(=O)OC)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CN(C(CC1=CN=CN1)C(=O)OC)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O4/c1-22(2,3)19(26)14-25(20(27)11-10-16-8-6-5-7-9-16)18(21(28)29-4)12-17-13-23-15-24-17/h5-9,13,15,18H,10-12,14H2,1-4H3,(H,23,24)