(5R,7S)-3-(2-phenylethyl)adamantane-1-carboxylic acid

Systemtic Name: (5R,7S)-3-(2-phenylethyl)adamantane-1-carboxylic acid Openeye Name: (5R,7S)-3-(2-phenylethyl)adamantane-1-carboxylic acid CAS Name: (5R,7S)-3-(2-phenylethyl)-1-adamantanecarboxylic acid IUPAC Name: (5R,7S)-3-(2-phenylethyl)adamantane-1-carboxylic acid Traditional Name: (5R,7S)-3-(2-phenylethyl)adamantane-1-carboxylic acid Formula: C19H23O2 MolecularWeight: 283.38472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C[CH]C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)O)C[CH]C4=CC=CC=C4

InChI

InChI=1S/C19H23O2/c20-17(21)19-11-15-8-16(12-19)10-18(9-15,13-19)7-6-14-4-2-1-3-5-14/h1-6,15-16H,7-13H2,(H,20,21)/t15-,16+,18?,19?