methyl 6-acetamido-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate

Systemtic Name: methyl 6-acetamido-7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate Openeye Name: methyl 6-acetamido-7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate CAS Name: 6-acetamido-7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid methyl ester IUPAC Name: methyl 6-acetamido-7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate Traditional Name: 6-acetamido-7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid methyl ester Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C(O1)C(=CC(=C2NC(=O)C)Cl)C(=O)OC

Isomeric SMILES

CC1CCCC2=C(O1)C(=CC(=C2NC(=O)C)Cl)C(=O)OC

InChI

InChI=1S/C15H18ClNO4/c1-8-5-4-6-10-13(17-9(2)18)12(16)7-11(14(10)21-8)15(19)20-3/h7-8H,4-6H2,1-3H3,(H,17,18)