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

Systemtic Name: 8-[[4-[3-(3-methylphenoxy)propoxy]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-[3-(3-methylphenoxy)propoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-8-[[[4-[3-(3-methylphenoxy)propoxy]phenyl]-oxomethyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-8-[[4-[3-(3-methylphenoxy)propoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-8-[[4-[3-(3-methylphenoxy)propoxy]benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C30H32N2O8 MolecularWeight: 548.58368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(CN4CCCC(=O)O)C(=O)O

InChI

InChI=1S/C30H32N2O8/c1-20-6-2-7-23(18-20)39-17-5-16-38-22-13-11-21(12-14-22)29(35)31-24-8-3-9-25-28(24)40-26(30(36)37)19-32(25)15-4-10-27(33)34/h2-3,6-9,11-14,18,26H,4-5,10,15-17,19H2,1H3,(H,31,35)(H,33,34)(H,36,37)