2-[(5R,7S)-3-(4-methylphenyl)-1-adamantyl]ethanoate

Systemtic Name: 2-[(5R,7S)-3-(4-methylphenyl)-1-adamantyl]ethanoate Openeye Name: 2-[(5R,7S)-3-(p-tolyl)-1-adamantyl]acetate CAS Name: 2-[(5R,7S)-3-(4-methylphenyl)-1-adamantyl]acetate IUPAC Name: 2-[(5R,7S)-3-(4-methylphenyl)-1-adamantyl]acetate Traditional Name: 2-[(5R,7S)-3-(p-tolyl)-1-adamantyl]acetate Formula: C19H23O2- MolecularWeight: 283.38472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CC(=O)[O-]

InChI

InChI=1S/C19H24O2/c1-13-2-4-16(5-3-13)19-9-14-6-15(10-19)8-18(7-14,12-19)11-17(20)21/h2-5,14-15H,6-12H2,1H3,(H,20,21)/p-1/t14-,15+,18?,19?