tert-butyl 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]hex-5-enoate

Systemtic Name: tert-butyl 3-[[3,3-dimethyl-1-oxidanylidene-1-(1-phenylethylamino)butan-2-yl]carbamoyl]hex-5-enoate Openeye Name: tert-butyl 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]hex-5-enoate CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]amino]-oxomethyl]-5-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3,3-dimethyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]carbamoyl]hex-5-enoate Traditional Name: 3-[[2,2-dimethyl-1-(1-phenylethylcarbamoyl)propyl]carbamoyl]hex-5-enoic acid tert-butyl ester Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)C(CC=C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C(C)(C)C)NC(=O)C(CC=C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C25H38N2O4/c1-9-13-19(16-20(28)31-25(6,7)8)22(29)27-21(24(3,4)5)23(30)26-17(2)18-14-11-10-12-15-18/h9-12,14-15,17,19,21H,1,13,16H2,2-8H3,(H,26,30)(H,27,29)