tert-butyl 4-[(2S,3S)-3-ethyl-4-oxidanylidene-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoate

Systemtic Name: tert-butyl 4-[(2S,3S)-3-ethyl-4-oxidanylidene-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[(2S,3S)-3-ethyl-4-oxo-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoate CAS Name: 4-[[(2S,3S)-3-ethyl-4-oxo-1-[oxo-[[(1R)-1-phenylpropyl]amino]methyl]-3-propyl-2-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S,3S)-3-ethyl-4-oxo-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propylazetidin-2-yl]oxybenzoate Traditional Name: 4-[(2S,3S)-3-ethyl-4-keto-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C29H38N2O5 MolecularWeight: 494.62242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(N(C1=O)C(=O)NC(CC)C2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCC[C@]1([C@@H](N(C1=O)C(=O)N[C@H](CC)C2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C29H38N2O5/c1-7-19-29(9-3)25(33)31(27(34)30-23(8-2)20-13-11-10-12-14-20)26(29)35-22-17-15-21(16-18-22)24(32)36-28(4,5)6/h10-18,23,26H,7-9,19H2,1-6H3,(H,30,34)/t23-,26+,29-/m1/s1