(3S)-N-(4-bromanyl-3-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-3-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-3-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-3-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-3-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-3-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4)Br

InChI

InChI=1S/C20H19BrN2O4/c1-12-8-14(2-4-16(12)21)22-20(25)13-9-19(24)23(11-13)15-3-5-17-18(10-15)27-7-6-26-17/h2-5,8,10,13H,6-7,9,11H2,1H3,(H,22,25)/t13-/m0/s1