ethyl 3-bromanyl-2-ethoxy-6-[(1S,2R,5R)-2-ethoxycarbonyl-5-propan-2-yl-cyclopentyl]-4-methyl-benzoate

Systemtic Name: ethyl 3-bromanyl-2-ethoxy-6-[(1S,2R,5R)-2-ethoxycarbonyl-5-propan-2-yl-cyclopentyl]-4-methyl-benzoate Openeye Name: ethyl 3-bromo-2-ethoxy-6-[(1S,2R,5R)-2-ethoxycarbonyl-5-isopropyl-cyclopentyl]-4-methyl-benzoate CAS Name: 3-bromo-2-ethoxy-6-[(1S,2R,5R)-2-ethoxycarbonyl-5-propan-2-ylcyclopentyl]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-2-ethoxy-6-[(1S,2R,5R)-2-ethoxycarbonyl-5-propan-2-ylcyclopentyl]-4-methylbenzoate Traditional Name: 3-bromo-6-[(1S,2R,5R)-2-carbethoxy-5-isopropyl-cyclopentyl]-2-ethoxy-4-methyl-benzoic acid ethyl ester Formula: C23H33BrO5 MolecularWeight: 469.40912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1Br)C)C2C(CCC2C(=O)OCC)C(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1Br)C)[C@H]2[C@H](CC[C@H]2C(=O)OCC)C(C)C)C(=O)OCC

InChI

InChI=1S/C23H33BrO5/c1-7-27-21-19(23(26)29-9-3)17(12-14(6)20(21)24)18-15(13(4)5)10-11-16(18)22(25)28-8-2/h12-13,15-16,18H,7-11H2,1-6H3/t15-,16-,18+/m1/s1