tert-butyl (2S)-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]naphthalen-1-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]naphthalen-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[4-[4-(tert-butoxycarbonylamino)butyl]naphthalene-1-carbonyl]piperazine-1-carboxylate CAS Name: (2S)-2-[[4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]-1-naphthalenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]naphthalene-1-carbonyl]piperazine-1-carboxylate Traditional Name: (2S)-2-[4-[4-(tert-butoxycarbonylamino)butyl]-1-naphthoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H41N3O5 MolecularWeight: 511.65294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC1=CC=C(C2=CC=CC=C12)C(=O)C3CNCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC1=CC=C(C2=CC=CC=C12)C(=O)[C@@H]3CNCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C29H41N3O5/c1-28(2,3)36-26(34)31-16-10-9-11-20-14-15-23(22-13-8-7-12-21(20)22)25(33)24-19-30-17-18-32(24)27(35)37-29(4,5)6/h7-8,12-15,24,30H,9-11,16-19H2,1-6H3,(H,31,34)/t24-/m0/s1