[(10R,11R)-10-bromanyl-8,9,10,11-tetrahydrobenzo[a]anthracen-11-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoate

Systemtic Name: [(10R,11R)-10-bromanyl-8,9,10,11-tetrahydrobenzo[a]anthracen-11-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxyethanoate Openeye Name: [(10R,11R)-10-bromo-8,9,10,11-tetrahydrobenzo[a]anthracen-11-yl] 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetate CAS Name: 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid [(10R,11R)-10-bromo-8,9,10,11-tetrahydrobenzo[a]anthracen-11-yl] ester IUPAC Name: [(10R,11R)-10-bromo-8,9,10,11-tetrahydrobenzo[a]anthracen-11-yl] 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate Traditional Name: 2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]acetic acid [(10R,11R)-10-bromo-8,9,10,11-tetrahydrobenz[a]anthracen-11-yl] ester Formula: C30H35BrO3 MolecularWeight: 523.5011

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)OC2C(CCC3=C2C=C4C(=C3)C=CC5=CC=CC=C54)Br)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)O[C@H]2[C@@H](CCC3=C2C=C4C(=C3)C=CC5=CC=CC=C54)Br)C(C)C

InChI

InChI=1S/C30H35BrO3/c1-18(2)23-12-8-19(3)14-28(23)33-17-29(32)34-30-26-16-25-21(15-22(26)11-13-27(30)31)10-9-20-6-4-5-7-24(20)25/h4-7,9-10,15-16,18-19,23,27-28,30H,8,11-14,17H2,1-3H3/t19-,23+,27-,28-,30-/m1/s1