4-[(2S,3S)-3-ethyl-4-oxidanylidene-1-[[(1R)-1-phenylbutyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid

Systemtic Name: 4-[(2S,3S)-3-ethyl-4-oxidanylidene-1-[[(1R)-1-phenylbutyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[(2S,3S)-3-ethyl-4-oxo-1-[[(1R)-1-phenylbutyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[(2S,3S)-3-ethyl-4-oxo-1-[oxo-[[(1R)-1-phenylbutyl]amino]methyl]-3-propyl-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[(2S,3S)-3-ethyl-4-oxo-1-[[(1R)-1-phenylbutyl]carbamoyl]-3-propylazetidin-2-yl]oxybenzoic acid Traditional Name: 4-[(2S,3S)-3-ethyl-4-keto-1-[[(1R)-1-phenylbutyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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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)O

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)O

InChI

InChI=1S/C26H32N2O5/c1-4-10-21(18-11-8-7-9-12-18)27-25(32)28-23(31)26(6-3,17-5-2)24(28)33-20-15-13-19(14-16-20)22(29)30/h7-9,11-16,21,24H,4-6,10,17H2,1-3H3,(H,27,32)(H,29,30)/t21-,24+,26-/m1/s1