[(2S)-2-methylbutyl] 4-[(2R,3R)-2,3-diphenylcyclopropyl]carbonylbenzoate

Systemtic Name: [(2S)-2-methylbutyl] 4-[(2R,3R)-2,3-diphenylcyclopropyl]carbonylbenzoate Openeye Name: [(2S)-2-methylbutyl] 4-[(2R,3R)-2,3-diphenylcyclopropanecarbonyl]benzoate CAS Name: 4-[[(2R,3R)-2,3-diphenylcyclopropyl]-oxomethyl]benzoic acid [(2S)-2-methylbutyl] ester IUPAC Name: [(2S)-2-methylbutyl] 4-[(2R,3R)-2,3-diphenylcyclopropanecarbonyl]benzoate Traditional Name: 4-[(2R,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid [(2S)-2-methylbutyl] ester Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CC=C(C=C1)C(=O)C2C(C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)COC(=O)C1=CC=C(C=C1)C(=O)C2[C@@H]([C@H]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28O3/c1-3-19(2)18-31-28(30)23-16-14-22(15-17-23)27(29)26-24(20-10-6-4-7-11-20)25(26)21-12-8-5-9-13-21/h4-17,19,24-26H,3,18H2,1-2H3/t19-,24+,25+/m0/s1