[(3R,4S)-4-ethoxy-3-methyl-4-phenyl-butyl] 4-nitrobenzoate

Systemtic Name: [(3R,4S)-4-ethoxy-3-methyl-4-phenyl-butyl] 4-nitrobenzoate Openeye Name: [(3R,4S)-4-ethoxy-3-methyl-4-phenyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R,4S)-4-ethoxy-3-methyl-4-phenylbutyl] ester IUPAC Name: [(3R,4S)-4-ethoxy-3-methyl-4-phenylbutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3R,4S)-4-ethoxy-3-methyl-4-phenyl-butyl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)C(C)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCO[C@H](C1=CC=CC=C1)[C@H](C)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO5/c1-3-25-19(16-7-5-4-6-8-16)15(2)13-14-26-20(22)17-9-11-18(12-10-17)21(23)24/h4-12,15,19H,3,13-14H2,1-2H3/t15-,19+/m1/s1