8-[2-[4-(2,3-dihydro-1H-inden-2-ylmethoxy)phenyl]ethyl]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-[2-[4-(2,3-dihydro-1H-inden-2-ylmethoxy)phenyl]ethyl]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[2-[4-(indan-2-ylmethoxy)phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[2-[4-(2,3-dihydro-1H-inden-2-ylmethoxy)phenyl]ethyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[2-[4-(2,3-dihydro-1H-inden-2-ylmethoxy)phenyl]ethyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[2-[4-(indan-2-ylmethoxy)phenyl]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C31H33NO6 MolecularWeight: 515.59682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)COC3=CC=C(C=C3)CCC4=C5C(=CC=C4)N(CC(O5)C(=O)O)CCCC(=O)O

Isomeric SMILES

C1C(CC2=CC=CC=C21)COC3=CC=C(C=C3)CCC4=C5C(=CC=C4)N(CC(O5)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C31H33NO6/c33-29(34)9-4-16-32-19-28(31(35)36)38-30-23(7-3-8-27(30)32)13-10-21-11-14-26(15-12-21)37-20-22-17-24-5-1-2-6-25(24)18-22/h1-3,5-8,11-12,14-15,22,28H,4,9-10,13,16-20H2,(H,33,34)(H,35,36)