(phenylmethyl) 2-[(1S,2S,3R)-2-(4-bromophenyl)carbonyl-3-methyl-cyclopropyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(1S,2S,3R)-2-(4-bromophenyl)carbonyl-3-methyl-cyclopropyl]ethanoate Openeye Name: benzyl 2-[(1S,2S,3R)-2-(4-bromobenzoyl)-3-methyl-cyclopropyl]acetate CAS Name: 2-[(1S,2S,3R)-2-[(4-bromophenyl)-oxomethyl]-3-methylcyclopropyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1S,2S,3R)-2-(4-bromobenzoyl)-3-methylcyclopropyl]acetate Traditional Name: 2-[(1S,2S,3R)-2-(4-bromobenzoyl)-3-methyl-cyclopropyl]acetic acid benzyl ester Formula: C20H19BrO3 MolecularWeight: 387.26706

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C1C(=O)C2=CC=C(C=C2)Br)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@@H]([C@H]1C(=O)C2=CC=C(C=C2)Br)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19BrO3/c1-13-17(11-18(22)24-12-14-5-3-2-4-6-14)19(13)20(23)15-7-9-16(21)10-8-15/h2-10,13,17,19H,11-12H2,1H3/t13-,17+,19+/m1/s1