2-[4-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]butyl]-9-oxidanylidene-1-phenyl-xanthene-4-carboxamide

Systemtic Name: 2-[4-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]butyl]-9-oxidanylidene-1-phenyl-xanthene-4-carboxamide Openeye Name: 2-[4-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]butyl]-9-oxo-1-phenyl-xanthene-4-carboxamide CAS Name: 2-[4-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]butyl]-9-oxo-1-phenyl-4-xanthenecarboxamide IUPAC Name: 2-[4-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]butyl]-9-oxo-1-phenylxanthene-4-carboxamide Traditional Name: 2-[4-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]butyl]-9-keto-1-phenyl-xanthene-4-carboxamide Formula: C35H36N2O5 MolecularWeight: 564.67074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)NCCCCC2=C(C3=C(C(=C2)C(=O)N)OC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)NCCCCC2=C(C3=C(C(=C2)C(=O)N)OC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C35H36N2O5/c1-22(19-23-16-17-29(40-2)30(20-23)41-3)37-18-10-9-13-25-21-27(35(36)39)34-32(31(25)24-11-5-4-6-12-24)33(38)26-14-7-8-15-28(26)42-34/h4-8,11-12,14-17,20-22,37H,9-10,13,18-19H2,1-3H3,(H2,36,39)