N-[1-(4-aminophenyl)-2-(3-oxidanylpyrrolidin-1-yl)ethyl]-N-methyl-9H-xanthene-9-carboxamide

Systemtic Name: N-[1-(4-aminophenyl)-2-(3-oxidanylpyrrolidin-1-yl)ethyl]-N-methyl-9H-xanthene-9-carboxamide Openeye Name: N-[1-(4-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-9H-xanthene-9-carboxamide CAS Name: N-[1-(4-aminophenyl)-2-(3-hydroxy-1-pyrrolidinyl)ethyl]-N-methyl-9H-xanthene-9-carboxamide IUPAC Name: N-[1-(4-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethyl]-N-methyl-9H-xanthene-9-carboxamide Traditional Name: N-[1-(4-aminophenyl)-2-(3-hydroxypyrrolidino)ethyl]-N-methyl-9H-xanthene-9-carboxamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CN1CCC(C1)O)C2=CC=C(C=C2)N)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CN(C(CN1CCC(C1)O)C2=CC=C(C=C2)N)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H29N3O3/c1-29(23(17-30-15-14-20(31)16-30)18-10-12-19(28)13-11-18)27(32)26-21-6-2-4-8-24(21)33-25-9-5-3-7-22(25)26/h2-13,20,23,26,31H,14-17,28H2,1H3