3-phenoxycarbonyladamantane-1-carboxylic acid

Systemtic Name: 3-phenoxycarbonyladamantane-1-carboxylic acid Openeye Name: 3-phenoxycarbonyladamantane-1-carboxylic acid CAS Name: 3-[oxo(phenoxy)methyl]-1-adamantanecarboxylic acid IUPAC Name: 3-phenoxycarbonyladamantane-1-carboxylic acid Traditional Name: 3-carbophenoxyadamantane-1-carboxylic acid Formula: C18H20O4 MolecularWeight: 300.349

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C18H20O4/c19-15(20)17-7-12-6-13(8-17)10-18(9-12,11-17)16(21)22-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,19,20)