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

Systemtic Name: tert-butyl 4-[(2S,3R)-3-ethyl-4-oxidanylidene-1-[(phenylmethyl)carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[(2S,3R)-1-(benzylcarbamoyl)-3-ethyl-4-oxo-3-propyl-azetidin-2-yl]oxybenzoate CAS Name: 4-[[(2S,3R)-3-ethyl-4-oxo-1-[oxo-[(phenylmethyl)amino]methyl]-3-propyl-2-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S,3R)-1-(benzylcarbamoyl)-3-ethyl-4-oxo-3-propylazetidin-2-yl]oxybenzoate Traditional Name: 4-[(2S,3R)-1-(benzylcarbamoyl)-3-ethyl-4-keto-3-propyl-azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(N(C1=O)C(=O)NCC2=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)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C27H34N2O5/c1-6-17-27(7-2)23(31)29(25(32)28-18-19-11-9-8-10-12-19)24(27)33-21-15-13-20(14-16-21)22(30)34-26(3,4)5/h8-16,24H,6-7,17-18H2,1-5H3,(H,28,32)/t24-,27-/m0/s1