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

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(3-phenethyloxyphenyl)carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-8-[(3-phenethyloxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[oxo-(3-phenethyloxyphenyl)methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[(3-phenethyloxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[(3-phenethyloxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C28H28N2O7 MolecularWeight: 504.53112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC(=CC=C3)OCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H28N2O7/c31-25(32)13-6-15-30-18-24(28(34)35)37-26-22(11-5-12-23(26)30)29-27(33)20-9-4-10-21(17-20)36-16-14-19-7-2-1-3-8-19/h1-5,7-12,17,24H,6,13-16,18H2,(H,29,33)(H,31,32)(H,34,35)