4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-3-methyl-benzoic acid

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbonylamino)-3-methyl-benzoic acid Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-methyl-benzoic acid CAS Name: 4-[[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxo)methyl]amino]-3-methylbenzoic acid IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-methylbenzoic acid Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-carbonylamino)-3-methyl-benzoic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H17NO5/c1-11-9-13(18(21)22)3-5-14(11)19-17(20)12-4-6-15-16(10-12)24-8-2-7-23-15/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)(H,21,22)