4-[2-[(2R)-2-[(E,3S)-4-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[(2R)-2-[(E,3S)-4-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-oxidanyl-but-1-enyl]-5-oxidanylidene-pyrrolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]but-1-enyl]-5-oxo-pyrrolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]but-1-enyl]-5-oxo-1-pyrrolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]but-1-enyl]-5-keto-pyrrolidino]ethyl]benzoic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)CC(C=CC4CCC(=O)N4CCC5=CC=C(C=C5)C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)C[C@@H](/C=C/[C@H]4CCC(=O)N4CCC5=CC=C(C=C5)C(=O)O)O

InChI

InChI=1S/C31H30N2O5/c1-20-5-13-28-27(17-20)32-30(38-28)24-4-2-3-22(18-24)19-26(34)12-10-25-11-14-29(35)33(25)16-15-21-6-8-23(9-7-21)31(36)37/h2-10,12-13,17-18,25-26,34H,11,14-16,19H2,1H3,(H,36,37)/b12-10+/t25-,26+/m0/s1