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

Systemtic Name: (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid Openeye Name: (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid CAS Name: (5S,7R)-3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid IUPAC Name: (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid Traditional Name: (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid Formula: C19H24O2 MolecularWeight: 284.39266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24O2/c1-12-3-4-16(5-13(12)2)18-7-14-6-15(8-18)10-19(9-14,11-18)17(20)21/h3-5,14-15H,6-11H2,1-2H3,(H,20,21)/t14-,15+,18?,19?