2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid

Systemtic Name: 2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid Openeye Name: 2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid CAS Name: 2-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid IUPAC Name: 2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid Traditional Name: 2-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid Formula: C12H14O3 MolecularWeight: 206.23776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=CC=CC(=C2O1)C(=O)O

Isomeric SMILES

CC1CCCC2=CC=CC(=C2O1)C(=O)O

InChI

InChI=1S/C12H14O3/c1-8-4-2-5-9-6-3-7-10(12(13)14)11(9)15-8/h3,6-8H,2,4-5H2,1H3,(H,13,14)