2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-methoxy-3-phenyl-, (Z)-2-butenedioate,hydrate (2:2:1)

HCID 6445841

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Basic information

CAS: 42773-64-8
Standard SMILES: CCN(CC)CCN1C(=O)C(OC)(c2ccccc2)c2ccccc21.O=C(O)/C=C/C(=O)O
InChIKey: ZUCNBKUISPGNCH-WLHGVMLRSA-N
Molecular formula: C25H30N2O6
Average molar mass: 454.5 g/mol
Monoisotopic mass: 454.21038668

Names & identifiers

Preferred name: 2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-methoxy-3-phenyl-, (Z)-2-butenedioate,hydrate (2:2:1)
IUPAC: (E)-but-2-enedioic acid;1-[2-(diethylamino)ethyl]-3-methoxy-3-phenylindol-2-one

Names & synonyms

2H-Indol-2-one, 1,3-dihydro-1-(2-(diethylamino)ethyl)-3-methoxy-3-phenyl-, (Z)-2-butenedioate,hydrate (2:2:1)42773-64-8RefChem:10652411,3-Dihydro-1-(2-(diethylamino)ethyl)-3-methoxy-3-phenyl-2H-indol-2-one maleate hemihydrate

Database identifiers

CAS: 42773-64-8
PubChem CID: 6445841

Properties

Computed structural properties

Topological polar surface area: 107 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 33
Formal charge: 0
Complexity: 564

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