ethyl 9-(4-chloranylbutanoylamino)-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-(4-chloranylbutanoylamino)-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-(4-chlorobutanoylamino)-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-[(4-chloro-1-oxobutyl)amino]-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-(4-chlorobutanoylamino)-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-(4-chlorobutanoylamino)-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)NC(=O)CCCCl)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)NC(=O)CCCCl)OCC1

InChI

InChI=1S/C17H20ClNO4/c1-2-22-17(21)13-8-10-23-16-12(11-13)5-3-6-14(16)19-15(20)7-4-9-18/h3,5-6,11H,2,4,7-10H2,1H3,(H,19,20)