tert-butyl N-[(3R,5S)-5-[(9-phenethylxanthen-9-yl)methylcarbamoyl]piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R,5S)-5-[(9-phenethylxanthen-9-yl)methylcarbamoyl]piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3R,5S)-5-[(9-phenethylxanthen-9-yl)methylcarbamoyl]-3-piperidyl]carbamate CAS Name: N-[(3R,5S)-5-[oxo-[(9-phenethyl-9-xanthenyl)methylamino]methyl]-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R,5S)-5-[(9-phenethylxanthen-9-yl)methylcarbamoyl]piperidin-3-yl]carbamate Traditional Name: N-[(3R,5S)-5-[(9-phenethylxanthen-9-yl)methylcarbamoyl]-3-piperidyl]carbamic acid tert-butyl ester Formula: C33H39N3O4 MolecularWeight: 541.68046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(CNC1)C(=O)NCC2(C3=CC=CC=C3OC4=CC=CC=C42)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC1)C(=O)NCC2(C3=CC=CC=C3OC4=CC=CC=C42)CCC5=CC=CC=C5

InChI

InChI=1S/C33H39N3O4/c1-32(2,3)40-31(38)36-25-19-24(20-34-21-25)30(37)35-22-33(18-17-23-11-5-4-6-12-23)26-13-7-9-15-28(26)39-29-16-10-8-14-27(29)33/h4-16,24-25,34H,17-22H2,1-3H3,(H,35,37)(H,36,38)/t24-,25+/m0/s1