(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-phenoxyethanoate

Systemtic Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-phenoxyethanoate Openeye Name: (7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl ester IUPAC Name: (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid (7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)methyl ester Formula: C28H38O3 MolecularWeight: 422.59952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C)COC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC2=CCC3C(CCCC3(C2CC1)C)(C)COC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C28H38O3/c1-20(2)21-11-13-24-22(17-21)12-14-25-27(3,15-8-16-28(24,25)4)19-31-26(29)18-30-23-9-6-5-7-10-23/h5-7,9-10,12,17,20,24-25H,8,11,13-16,18-19H2,1-4H3