[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)CCNC(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C21H32N2O4/c1-14(2)15(3)23-18(24)13-27-19(25)11-12-22-20(26)16-7-9-17(10-8-16)21(4,5)6/h7-10,14-15H,11-13H2,1-6H3,(H,22,26)(H,23,24)