methyl 6-acetamido-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylate

Systemtic Name: methyl 6-acetamido-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylate Openeye Name: methyl 6-acetamido-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylate CAS Name: 6-acetamido-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-9-carboxylic acid methyl ester IUPAC Name: methyl 6-acetamido-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylate Traditional Name: 6-acetamido-2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-9-carboxylic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2CCCC(OC2=C(C=C1)C(=O)OC)(C)C

Isomeric SMILES

CC(=O)NC1=C2CCCC(OC2=C(C=C1)C(=O)OC)(C)C

InChI

InChI=1S/C16H21NO4/c1-10(18)17-13-8-7-12(15(19)20-4)14-11(13)6-5-9-16(2,3)21-14/h7-8H,5-6,9H2,1-4H3,(H,17,18)