tert-butyl 4-[[1-(1,3-benzoxazol-2-yl)piperidin-2-yl]carbonylamino]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(1,3-benzoxazol-2-yl)piperidin-2-yl]carbonylamino]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(1,3-benzoxazol-2-yl)piperidine-2-carbonyl]amino]-2-(benzyloxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-[[[1-(1,3-benzoxazol-2-yl)-2-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(1,3-benzoxazol-2-yl)piperidine-2-carbonyl]amino]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-[[1-(1,3-benzoxazol-2-yl)pipecoloyl]amino]-2-(benzoxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C30H38N4O5 MolecularWeight: 534.64652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1COCC2=CC=CC=C2)NC(=O)C3CCCCN3C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1COCC2=CC=CC=C2)NC(=O)C3CCCCN3C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C30H38N4O5/c1-30(2,3)39-29(36)34-18-22(17-23(34)20-37-19-21-11-5-4-6-12-21)31-27(35)25-14-9-10-16-33(25)28-32-24-13-7-8-15-26(24)38-28/h4-8,11-13,15,22-23,25H,9-10,14,16-20H2,1-3H3,(H,31,35)