8-[(E)-2-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]phenyl]ethenyl]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 8-[(E)-2-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]phenyl]ethenyl]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[(E)-2-[4-(2-indan-2-ylethoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[(E)-2-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]phenyl]ethenyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[(E)-2-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]phenyl]ethenyl]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[(E)-2-[4-(2-indan-2-ylethoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C32H33NO6 MolecularWeight: 527.60752

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)CCOC3=CC=C(C=C3)C=CC4=C5C(=CC=C4)N(CC(O5)C(=O)O)CCCC(=O)O

Isomeric SMILES

C1C(CC2=CC=CC=C21)CCOC3=CC=C(C=C3)/C=C/C4=C5C(=CC=C4)N(CC(O5)C(=O)O)CCCC(=O)O

InChI

InChI=1S/C32H33NO6/c34-30(35)9-4-17-33-21-29(32(36)37)39-31-24(7-3-8-28(31)33)13-10-22-11-14-27(15-12-22)38-18-16-23-19-25-5-1-2-6-26(25)20-23/h1-3,5-8,10-15,23,29H,4,9,16-21H2,(H,34,35)(H,36,37)/b13-10+