3-methyl-6-oxidanyl-8-phenethyl-2,5-dihydro-1-benzoxepine-7-carboxylic acid

Systemtic Name: 3-methyl-6-oxidanyl-8-phenethyl-2,5-dihydro-1-benzoxepine-7-carboxylic acid Openeye Name: 6-hydroxy-3-methyl-8-phenethyl-2,5-dihydro-1-benzoxepine-7-carboxylic acid CAS Name: 6-hydroxy-3-methyl-8-phenethyl-2,5-dihydro-1-benzoxepin-7-carboxylic acid IUPAC Name: 6-hydroxy-3-methyl-8-phenethyl-2,5-dihydro-1-benzoxepine-7-carboxylic acid Traditional Name: 6-hydroxy-3-methyl-8-phenethyl-2,5-dihydro-1-benzoxepin-7-carboxylic acid Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2=C(C=C(C(=C2O)C(=O)O)CCC3=CC=CC=C3)OC1

Isomeric SMILES

CC1=CCC2=C(C=C(C(=C2O)C(=O)O)CCC3=CC=CC=C3)OC1

InChI

InChI=1S/C20H20O4/c1-13-7-10-16-17(24-12-13)11-15(18(19(16)21)20(22)23)9-8-14-5-3-2-4-6-14/h2-7,11,21H,8-10,12H2,1H3,(H,22,23)