2,3,4,5,6,7,8,9-Octahydro-9-[3-methoxy-4-(phenylmethoxy)phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-10(1H)-acridineacetic acid

Substructure search Find similar structures

Basic information

CAS: 944683-27-6
Standard SMILES: COc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC(=O)O)C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1
InChIKey: CRRQPWGRWRCOTP-UHFFFAOYSA-N
Molecular formula: C33H37NO6
Average molar mass: 543.6 g/mol
Monoisotopic mass: 543.2620879

Names & identifiers

Preferred name: 2,3,4,5,6,7,8,9-Octahydro-9-[3-methoxy-4-(phenylmethoxy)phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-10(1H)-acridineacetic acid
IUPAC: 2-[9-(3-methoxy-4-phenylmethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid

Names & synonyms

DTXSID701105014AKOS0002868072,3,4,5,6,7,8,9-Octahydro-9-[3-methoxy-4-(phenylmethoxy)phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-10(1H)-acridineacetic acid944683-27-6

Database identifiers

CAS: 944683-27-6
PubChem CID: 4764346
DTXSID: DTXSID701105014

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 93.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 40
Formal charge: 0
Complexity: 1,040

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…