methyl (2S)-1-oxidanylidene-2-[(2R)-4-oxidanylidenepentan-2-yl]-3,4-dihydrophenanthrene-2-carboxylate

Systemtic Name: methyl (2S)-1-oxidanylidene-2-[(2R)-4-oxidanylidenepentan-2-yl]-3,4-dihydrophenanthrene-2-carboxylate Openeye Name: methyl (2S)-2-[(1R)-1-methyl-3-oxo-butyl]-1-oxo-3,4-dihydrophenanthrene-2-carboxylate CAS Name: (2S)-1-oxo-2-[(2R)-4-oxopentan-2-yl]-3,4-dihydrophenanthrene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-1-oxo-2-[(2R)-4-oxopentan-2-yl]-3,4-dihydrophenanthrene-2-carboxylate Traditional Name: (2S)-1-keto-2-[(1R)-3-keto-1-methyl-butyl]-3,4-dihydrophenanthrene-2-carboxylic acid methyl ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C)C1(CCC2=C(C1=O)C=CC3=CC=CC=C23)C(=O)OC

Isomeric SMILES

C[C@H](CC(=O)C)[C@]1(CCC2=C(C1=O)C=CC3=CC=CC=C23)C(=O)OC

InChI

InChI=1S/C21H22O4/c1-13(12-14(2)22)21(20(24)25-3)11-10-17-16-7-5-4-6-15(16)8-9-18(17)19(21)23/h4-9,13H,10-12H2,1-3H3/t13-,21+/m1/s1