methyl 4-(4-methoxy-4b-methyl-7-oxidanylidene-5,6,9,10-tetrahydrophenanthren-1-yl)butanoate

Systemtic Name: methyl 4-(4-methoxy-4b-methyl-7-oxidanylidene-5,6,9,10-tetrahydrophenanthren-1-yl)butanoate Openeye Name: methyl 4-(4-methoxy-4b-methyl-7-oxo-5,6,9,10-tetrahydrophenanthren-1-yl)butanoate CAS Name: 4-(4-methoxy-4b-methyl-7-oxo-5,6,9,10-tetrahydrophenanthren-1-yl)butanoic acid methyl ester IUPAC Name: methyl 4-(4-methoxy-4b-methyl-7-oxo-5,6,9,10-tetrahydrophenanthren-1-yl)butanoate Traditional Name: 4-(7-keto-4-methoxy-4b-methyl-5,6,9,10-tetrahydrophenanthren-1-yl)butyric acid methyl ester Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3=C(C=CC(=C23)OC)CCCC(=O)OC

Isomeric SMILES

CC12CCC(=O)C=C1CCC3=C(C=CC(=C23)OC)CCCC(=O)OC

InChI

InChI=1S/C21H26O4/c1-21-12-11-16(22)13-15(21)8-9-17-14(5-4-6-19(23)25-3)7-10-18(24-2)20(17)21/h7,10,13H,4-6,8-9,11-12H2,1-3H3