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(5S,7R)-3-(3,4-dimethoxyphenyl)adamantane-1-carboxylic acid

(5S,7R)-3-(3,4-dimethoxyphenyl)adamantane-1-carboxylic acid

Systemtic Name:(5S,7R)-3-(3,4-dimethoxyphenyl)adamantane-1-carboxylic acid
Openeye Name:(5S,7R)-3-(3,4-dimethoxyphenyl)adamantane-1-carboxylic acid
CAS Name:(5S,7R)-3-(3,4-dimethoxyphenyl)-1-adamantanecarboxylic acid
IUPAC Name:(5S,7R)-3-(3,4-dimethoxyphenyl)adamantane-1-carboxylic acid
Traditional Name:(5S,7R)-3-(3,4-dimethoxyphenyl)adamantane-1-carboxylic acid
Formula: C19H24O4
MolecularWeight: 316.39146
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O)OC


Isomeric SMILES

COC1=C(C=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)O)OC


InChI

InChI=1S/C19H24O4/c1-22-15-4-3-14(6-16(15)23-2)18-7-12-5-13(8-18)10-19(9-12,11-18)17(20)21/h3-4,6,12-13H,5,7-11H2,1-2H3,(H,20,21)/t12-,13+,18?,19?


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