tert-butyl N-[(3R,5S)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R,5S)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3R,5S)-5-(9H-xanthen-9-ylmethylcarbamoyl)-3-piperidyl]carbamate CAS Name: N-[(3R,5S)-5-[oxo-(9H-xanthen-9-ylmethylamino)methyl]-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R,5S)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]carbamate Traditional Name: N-[(3R,5S)-5-(9H-xanthen-9-ylmethylcarbamoyl)-3-piperidyl]carbamic acid tert-butyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(CNC1)C(=O)NCC2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC1)C(=O)NCC2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C25H31N3O4/c1-25(2,3)32-24(30)28-17-12-16(13-26-14-17)23(29)27-15-20-18-8-4-6-10-21(18)31-22-11-7-5-9-19(20)22/h4-11,16-17,20,26H,12-15H2,1-3H3,(H,27,29)(H,28,30)/t16-,17+/m0/s1