tert-butyl 3-[[(2S)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-2,2-dimethyl-but-3-enoate

Systemtic Name: tert-butyl 3-[[(2S)-1-ethoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-2,2-dimethyl-but-3-enoate Openeye Name: tert-butyl 3-[[(1S)-1-benzyl-2-ethoxy-2-oxo-ethyl]carbamoyl]-2,2-dimethyl-but-3-enoate CAS Name: 3-[[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2,2-dimethyl-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2,2-dimethylbut-3-enoate Traditional Name: 3-[[(1S)-1-benzyl-2-ethoxy-2-keto-ethyl]carbamoyl]-2,2-dimethyl-but-3-enoic acid tert-butyl ester Formula: C22H31NO5 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(=C)C(C)(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(=C)C(C)(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31NO5/c1-8-27-19(25)17(14-16-12-10-9-11-13-16)23-18(24)15(2)22(6,7)20(26)28-21(3,4)5/h9-13,17H,2,8,14H2,1,3-7H3,(H,23,24)/t17-/m0/s1