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

Systemtic Name: 8-[[4-(naphthalen-2-ylmethoxy)phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[[4-(2-naphthylmethoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[[4-(2-naphthalenylmethoxy)phenyl]-oxomethyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[[4-(naphthalen-2-ylmethoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[[4-(2-naphthylmethoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C31H28N2O7 MolecularWeight: 540.56322

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C31H28N2O7/c34-28(35)9-4-16-33-18-27(31(37)38)40-29-25(7-3-8-26(29)33)32-30(36)22-12-14-24(15-13-22)39-19-20-10-11-21-5-1-2-6-23(21)17-20/h1-3,5-8,10-15,17,27H,4,9,16,18-19H2,(H,32,36)(H,34,35)(H,37,38)