(3S,5R)-5-(2-cyclohexylethanoylamino)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S,5R)-5-(2-cyclohexylethanoylamino)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S,5R)-5-[(2-cyclohexylacetyl)amino]-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide CAS Name: (3S,5R)-5-[(2-cyclohexyl-1-oxoethyl)amino]-N-(9H-xanthen-9-ylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S,5R)-5-[(2-cyclohexylacetyl)amino]-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S,5R)-5-[(2-cyclohexylacetyl)amino]-N-(9H-xanthen-9-ylmethyl)nipecotamide Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NC2CC(CNC2)C(=O)NCC3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCC(CC1)CC(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C28H35N3O3/c32-27(14-19-8-2-1-3-9-19)31-21-15-20(16-29-17-21)28(33)30-18-24-22-10-4-6-12-25(22)34-26-13-7-5-11-23(24)26/h4-7,10-13,19-21,24,29H,1-3,8-9,14-18H2,(H,30,33)(H,31,32)/t20-,21+/m0/s1