Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate

HCID 2769045

Basic information

Standard SMILES
COC(=O)c1ccc2c(c1)C(=O)c1ccccc1CO2
InChIKey
BCKOLYPIPZRJEL-UHFFFAOYSA-N
Molecular formula
C16H12O4
Average molar mass
268.26 g/mol
Monoisotopic mass
268.07355886

Names & identifiers

Preferred name
Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate
IUPAC
methyl 11-oxo-6H-benzo[c][1]benzoxepine-2-carboxylate

Names & synonyms

79669-87-7methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylatemethyl 11-oxo-6H-benzo[c][1]benzoxepine-2-carboxylate11-OXO-6,11-DIHYDRO-DIBENZOB,EOXEPINE-2-CARBOXYLIC ACID METHYL ESTERMFCD0024341911-OXO-6,11-DIHYDRO-DIBENZOB,EOXEPINE-2-CARBOXYLICACIDMETHYLESTEROlopatadine Impurity 53Bionet2_00081311-OXO-6,11-DIHYDRO-DIBENZO[B,E]OXEPINE-2-CARBOXYLIC ACID METHYL ESTEROprea1_064047SCHEMBL8797606BCKOLYPIPZRJEL-UHFFFAOYSA-N
Show more names
HMS1366E21AKOS005080347CS-0331039methyl 11-oxodibenz[b,e]oxepin-2-carboxylate12K-016methyl 11-oxo-6,11-dihydrodibenz[b,e]oxepin-2-carboxylateMethyl 6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-carboxylatemethyl 2-oxo-9-oxatricyclo[9.4.0.0?,?]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylate

Database identifiers

PubChem CID
2769045
Nikkaji
J550.540B

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

6 records

Compound notes

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