7-[(2-methylphenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[(2-methylphenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(2-methylbenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[(2-methylphenyl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(2-methylbenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-(o-toluoylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

InChI

InChI=1S/C18H17NO5/c1-11-5-2-3-6-12(11)17(20)19-14-10-16-15(9-13(14)18(21)22)23-7-4-8-24-16/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,19,20)(H,21,22)