dimethyl 2-[5-(tert-butylamino)-2-oxidanylidene-4-(phenylmethyl)-3,4-dihydropyrrol-3-yl]propanedioate

Systemtic Name: dimethyl 2-[5-(tert-butylamino)-2-oxidanylidene-4-(phenylmethyl)-3,4-dihydropyrrol-3-yl]propanedioate Openeye Name: dimethyl 2-[4-benzyl-5-(tert-butylamino)-2-oxo-3,4-dihydropyrrol-3-yl]propanedioate CAS Name: 2-[5-(tert-butylamino)-2-oxo-4-(phenylmethyl)-3,4-dihydropyrrol-3-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-benzyl-5-(tert-butylamino)-2-oxo-3,4-dihydropyrrol-3-yl]propanedioate Traditional Name: 2-[4-benzyl-5-(tert-butylamino)-2-keto-1-pyrrolin-3-yl]malonic acid dimethyl ester Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=O)C(C1CC2=CC=CC=C2)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)NC1=NC(=O)C(C1CC2=CC=CC=C2)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H26N2O5/c1-20(2,3)22-16-13(11-12-9-7-6-8-10-12)14(17(23)21-16)15(18(24)26-4)19(25)27-5/h6-10,13-15H,11H2,1-5H3,(H,21,22,23)