[2,6-di(propan-2-yl)phenyl] 4-(2-imidazol-1-ylethylamino)-4-oxidanylidene-butanoate

Systemtic Name: [2,6-di(propan-2-yl)phenyl] 4-(2-imidazol-1-ylethylamino)-4-oxidanylidene-butanoate Openeye Name: (2,6-diisopropylphenyl) 4-(2-imidazol-1-ylethylamino)-4-oxo-butanoate CAS Name: 4-[2-(1-imidazolyl)ethylamino]-4-oxobutanoic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] 4-(2-imidazol-1-ylethylamino)-4-oxobutanoate Traditional Name: 4-(2-imidazol-1-ylethylamino)-4-keto-butyric acid (2,6-diisopropylphenyl) ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2C=CN=C2

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)CCC(=O)NCCN2C=CN=C2

InChI

InChI=1S/C21H29N3O3/c1-15(2)17-6-5-7-18(16(3)4)21(17)27-20(26)9-8-19(25)23-11-13-24-12-10-22-14-24/h5-7,10,12,14-16H,8-9,11,13H2,1-4H3,(H,23,25)