4-(hydroxymethyl)-7-oxidanyl-1-(2-pyrrolidin-1-ylethylamino)xanthen-9-one

Systemtic Name: 4-(hydroxymethyl)-7-oxidanyl-1-(2-pyrrolidin-1-ylethylamino)xanthen-9-one Openeye Name: 7-hydroxy-4-(hydroxymethyl)-1-(2-pyrrolidin-1-ylethylamino)xanthen-9-one CAS Name: 7-hydroxy-4-(hydroxymethyl)-1-[2-(1-pyrrolidinyl)ethylamino]-9-xanthenone IUPAC Name: 7-hydroxy-4-(hydroxymethyl)-1-(2-pyrrolidin-1-ylethylamino)xanthen-9-one Traditional Name: 7-hydroxy-4-methylol-1-(2-pyrrolidinoethylamino)xanthone Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=C3C(=C(C=C2)CO)OC4=C(C3=O)C=C(C=C4)O

Isomeric SMILES

C1CCN(C1)CCNC2=C3C(=C(C=C2)CO)OC4=C(C3=O)C=C(C=C4)O

InChI

InChI=1S/C20H22N2O4/c23-12-13-3-5-16(21-7-10-22-8-1-2-9-22)18-19(25)15-11-14(24)4-6-17(15)26-20(13)18/h3-6,11,21,23-24H,1-2,7-10,12H2