(5S,7R)-3-(4-ethoxyphenyl)adamantane-1-carboxylate

Systemtic Name: (5S,7R)-3-(4-ethoxyphenyl)adamantane-1-carboxylate Openeye Name: (5S,7R)-3-(4-ethoxyphenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(4-ethoxyphenyl)-1-adamantanecarboxylate IUPAC Name: (5S,7R)-3-(4-ethoxyphenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-p-phenetyladamantane-1-carboxylate Formula: C19H23O3- MolecularWeight: 299.38412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)[O-]

InChI

InChI=1S/C19H24O3/c1-2-22-16-5-3-15(4-6-16)18-8-13-7-14(9-18)11-19(10-13,12-18)17(20)21/h3-6,13-14H,2,7-12H2,1H3,(H,20,21)/p-1/t13-,14+,18?,19?