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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)C(C)C

Isomeric SMILES

CC[C@@]1([C@@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)C(C)C

InChI

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