1,4a-dimethyl-7-(2-methylpropanoyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide

Systemtic Name: 1,4a-dimethyl-7-(2-methylpropanoyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Openeye Name: 1,4a-dimethyl-7-(2-methylpropanoyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide CAS Name: 1,4a-dimethyl-7-(2-methyl-1-oxopropyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide IUPAC Name: 1,4a-dimethyl-7-(2-methylpropanoyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Traditional Name: 7-isobutyryl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)N)C

Isomeric SMILES

CC(C)C(=O)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)N)C

InChI

InChI=1S/C21H29NO2/c1-13(2)18(23)15-6-8-16-14(12-15)7-9-17-20(16,3)10-5-11-21(17,4)19(22)24/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H2,22,24)