Basic information
- Standard SMILES
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1- InChIKey
QXZCEKVRMZMOKL-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
Names & identifiers
- Preferred name
- ethyl 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
- IUPAC
- ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
Names & synonyms
ethyl 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate107752-85-2ethyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylateMFCD00581301ChemDiv1_012060Oprea1_316924SCHEMBL3005693HMS621E04QXZCEKVRMZMOKL-UHFFFAOYSA-NSTK711802AKOS000669964AKOS016339911
Show more names
11N-378SST071432CS-0321379SR-01000530693SR-01000530693-1ethyl 2-amino-5-oxo-4-phenyl-4H-6,7,8-trihydrochromene-3-carboxylateethyl2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Database identifiers
- PubChem CID
- 2767703
- Nikkaji
- J2.910.954K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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