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

Systemtic Name: 4-[(2S,3S)-3-ethyl-4-oxidanylidene-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[(2S,3S)-3-ethyl-4-oxo-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[(2S,3S)-3-ethyl-4-oxo-1-[oxo-[[(1R)-1-phenylpropyl]amino]methyl]-3-propyl-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[(2S,3S)-3-ethyl-4-oxo-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propylazetidin-2-yl]oxybenzoic acid Traditional Name: 4-[(2S,3S)-3-ethyl-4-keto-1-[[(1R)-1-phenylpropyl]carbamoyl]-3-propyl-azetidin-2-yl]oxybenzoic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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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)O)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)O)CC

InChI

InChI=1S/C25H30N2O5/c1-4-16-25(6-3)22(30)27(23(25)32-19-14-12-18(13-15-19)21(28)29)24(31)26-20(5-2)17-10-8-7-9-11-17/h7-15,20,23H,4-6,16H2,1-3H3,(H,26,31)(H,28,29)/t20-,23+,25-/m1/s1