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

Systemtic Name: 7-[3-(2-chlorophenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[3-(2-chlorophenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[3-(2-chlorophenyl)-1-oxopropyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[3-(2-chlorophenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[3-(2-chlorophenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)CCC3=CC=CC=C3Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)CCC3=CC=CC=C3Cl)OC1

InChI

InChI=1S/C19H18ClNO5/c20-14-5-2-1-4-12(14)6-7-18(22)21-15-11-17-16(10-13(15)19(23)24)25-8-3-9-26-17/h1-2,4-5,10-11H,3,6-9H2,(H,21,22)(H,23,24)