4-[4-(3-methylphenoxy)butyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid

Systemtic Name: 4-[4-(3-methylphenoxy)butyl]-3-oxidanylidene-1,4-benzoxazine-7-carboxylic acid Openeye Name: 4-[4-(3-methylphenoxy)butyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid CAS Name: 4-[4-(3-methylphenoxy)butyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid IUPAC Name: 4-[4-(3-methylphenoxy)butyl]-3-oxo-1,4-benzoxazine-7-carboxylic acid Traditional Name: 3-keto-4-[4-(3-methylphenoxy)butyl]-1,4-benzoxazine-7-carboxylic acid Formula: C20H21NO5 MolecularWeight: 355.38444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCCN2C(=O)COC3=C2C=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCN2C(=O)COC3=C2C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H21NO5/c1-14-5-4-6-16(11-14)25-10-3-2-9-21-17-8-7-15(20(23)24)12-18(17)26-13-19(21)22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,23,24)