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

Systemtic Name: N-[4-[4-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]butyl]phenyl]-9-oxidanylidene-xanthene-4-carboxamide Openeye Name: N-[4-[4-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]butyl]phenyl]-9-oxo-xanthene-4-carboxamide CAS Name: N-[4-[4-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]butyl]phenyl]-9-oxo-4-xanthenecarboxamide IUPAC Name: N-[4-[4-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]butyl]phenyl]-9-oxoxanthene-4-carboxamide Traditional Name: N-[4-[4-[[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]amino]butyl]phenyl]-9-keto-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=CC=C(C=C2)NC(=O)C3=CC=CC4=C3OC5=CC=CC=C5C4=O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)OC)OC)NCCCCC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3OC5=CC=CC=C5C4=O

InChI

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