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

Systemtic Name: tert-butyl 4-[(2S,3S)-3-ethyl-4-oxidanylidene-1-[[(1R)-1-phenylbutyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[(2S,3S)-3-ethyl-4-oxo-1-[[(1R)-1-phenylbutyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoate CAS Name: 4-[[(2S,3S)-3-ethyl-4-oxo-1-[oxo-[[(1R)-1-phenylbutyl]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-phenylbutyl]carbamoyl]-3-propylazetidin-2-yl]oxybenzoate Traditional Name: 4-[(2S,3S)-3-ethyl-4-keto-1-[[(1R)-1-phenylbutyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)N2C(C(C2=O)(CC)CCC)OC3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)N2[C@H]([C@](C2=O)(CC)CCC)OC3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H40N2O5/c1-7-13-24(21-14-11-10-12-15-21)31-28(35)32-26(34)30(9-3,20-8-2)27(32)36-23-18-16-22(17-19-23)25(33)37-29(4,5)6/h10-12,14-19,24,27H,7-9,13,20H2,1-6H3,(H,31,35)/t24-,27+,30-/m1/s1