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

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butyl)-8-[(3-phenylmethoxyphenyl)carbonylamino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 8-[(3-benzyloxybenzoyl)amino]-4-(4-hydroxy-4-oxo-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[(3-phenylmethoxybenzoyl)amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 8-[(3-benzoxybenzoyl)amino]-4-(4-hydroxy-4-keto-butyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C27H26N2O7 MolecularWeight: 490.50454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O7/c30-24(31)13-6-14-29-16-23(27(33)34)36-25-21(11-5-12-22(25)29)28-26(32)19-9-4-10-20(15-19)35-17-18-7-2-1-3-8-18/h1-5,7-12,15,23H,6,13-14,16-17H2,(H,28,32)(H,30,31)(H,33,34)