tert-butyl 4-[4-[4-[(2S)-2-methoxypyrrolidin-1-yl]carbonylphenyl]butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-[(2S)-2-methoxypyrrolidin-1-yl]carbonylphenyl]butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-[(2S)-2-methoxypyrrolidine-1-carbonyl]phenyl]butyl]piperidine-1-carboxylate CAS Name: 4-[4-[4-[[(2S)-2-methoxy-1-pyrrolidinyl]-oxomethyl]phenyl]butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-[(2S)-2-methoxypyrrolidine-1-carbonyl]phenyl]butyl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-[(2S)-2-methoxypyrrolidine-1-carbonyl]phenyl]butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H40N2O4 MolecularWeight: 444.6068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCCC2=CC=C(C=C2)C(=O)N3CCCC3OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCCC2=CC=C(C=C2)C(=O)N3CCC[C@@H]3OC

InChI

InChI=1S/C26H40N2O4/c1-26(2,3)32-25(30)27-18-15-21(16-19-27)9-6-5-8-20-11-13-22(14-12-20)24(29)28-17-7-10-23(28)31-4/h11-14,21,23H,5-10,15-19H2,1-4H3/t23-/m0/s1