(3S,5R)-5-acetamido-N-[[9-(4-methoxybutyl)xanthen-9-yl]methyl]piperidine-3-carboxamide

Systemtic Name: (3S,5R)-5-acetamido-N-[[9-(4-methoxybutyl)xanthen-9-yl]methyl]piperidine-3-carboxamide Openeye Name: (3S,5R)-5-acetamido-N-[[9-(4-methoxybutyl)xanthen-9-yl]methyl]piperidine-3-carboxamide CAS Name: (3S,5R)-5-acetamido-N-[[9-(4-methoxybutyl)-9-xanthenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S,5R)-5-acetamido-N-[[9-(4-methoxybutyl)xanthen-9-yl]methyl]piperidine-3-carboxamide Traditional Name: (3S,5R)-5-acetamido-N-[[9-(4-methoxybutyl)xanthen-9-yl]methyl]nipecotamide Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC(CNC1)C(=O)NCC2(C3=CC=CC=C3OC4=CC=CC=C42)CCCCOC

Isomeric SMILES

CC(=O)N[C@@H]1C[C@@H](CNC1)C(=O)NCC2(C3=CC=CC=C3OC4=CC=CC=C42)CCCCOC

InChI

InChI=1S/C27H35N3O4/c1-19(31)30-21-15-20(16-28-17-21)26(32)29-18-27(13-7-8-14-33-2)22-9-3-5-11-24(22)34-25-12-6-4-10-23(25)27/h3-6,9-12,20-21,28H,7-8,13-18H2,1-2H3,(H,29,32)(H,30,31)/t20-,21+/m0/s1