methyl 3-methyl-2-[(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoate

Systemtic Name: methyl 3-methyl-2-[(5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoate Openeye Name: methyl 3-methyl-2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoate CAS Name: 3-methyl-2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[(5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-1-yl)methyl]butanoate Traditional Name: 2-[(3-keto-5-methyl-4-phenyl-1,2,4-triazolidin-1-yl)methyl]-3-methyl-butyric acid methyl ester Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=O)N1C2=CC=CC=C2)CC(C(C)C)C(=O)OC

Isomeric SMILES

CC1N(NC(=O)N1C2=CC=CC=C2)CC(C(C)C)C(=O)OC

InChI

InChI=1S/C16H23N3O3/c1-11(2)14(15(20)22-4)10-18-12(3)19(16(21)17-18)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,17,21)