tert-butyl N-[1-[(2S)-2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl]-3-(2-phenylmethoxyphenyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(2S)-2-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl]-3-(2-phenylmethoxyphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(2-benzyloxyphenyl)methyl]-2-[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]ethyl]carbamate CAS Name: N-[1-[(2S)-2-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-3-(2-phenylmethoxyphenyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(2S)-2-butyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-3-(2-phenylmethoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[1-(2-benzoxybenzyl)-2-[(2S)-2-butyl-4-(1-naphthoyl)piperazino]ethyl]carbamic acid tert-butyl ester Formula: C40H49N3O4 MolecularWeight: 635.83476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC(CC2=CC=CC=C2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCCC[C@H]1CN(CCN1CC(CC2=CC=CC=C2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C40H49N3O4/c1-5-6-20-34-28-43(38(44)36-22-14-19-31-17-10-12-21-35(31)36)25-24-42(34)27-33(41-39(45)47-40(2,3)4)26-32-18-11-13-23-37(32)46-29-30-15-8-7-9-16-30/h7-19,21-23,33-34H,5-6,20,24-29H2,1-4H3,(H,41,45)/t33?,34-/m0/s1