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

Systemtic Name: 8-[(4-cycloheptyloxyphenyl)carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[[4-(cycloheptoxy)benzoyl]amino]-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 8-[[(4-cycloheptyloxyphenyl)-oxomethyl]amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 8-[(4-cycloheptyloxybenzoyl)amino]-4-(4-hydroxy-4-oxobutyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[[4-(cycloheptoxy)benzoyl]amino]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

Isomeric SMILES

C1CCCC(CC1)OC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

InChI

InChI=1S/C27H32N2O7/c30-24(31)11-6-16-29-17-23(27(33)34)36-25-21(9-5-10-22(25)29)28-26(32)18-12-14-20(15-13-18)35-19-7-3-1-2-4-8-19/h5,9-10,12-15,19,23H,1-4,6-8,11,16-17H2,(H,28,32)(H,30,31)(H,33,34)