2-[(E)-but-1-enyl]-3-oxidanyl-5-oxidanylidene-4-(3-phenoxyphenyl)-2-pyrrolidin-1-yl-heptanoic acid

Systemtic Name: 2-[(E)-but-1-enyl]-3-oxidanyl-5-oxidanylidene-4-(3-phenoxyphenyl)-2-pyrrolidin-1-yl-heptanoic acid Openeye Name: 2-[(E)-but-1-enyl]-3-hydroxy-5-oxo-4-(3-phenoxyphenyl)-2-pyrrolidin-1-yl-heptanoic acid CAS Name: 2-[(E)-but-1-enyl]-3-hydroxy-5-oxo-4-(3-phenoxyphenyl)-2-(1-pyrrolidinyl)heptanoic acid IUPAC Name: 2-[(E)-but-1-enyl]-3-hydroxy-5-oxo-4-(3-phenoxyphenyl)-2-pyrrolidin-1-ylheptanoic acid Traditional Name: (E)-2-[1-hydroxy-3-keto-2-(3-phenoxyphenyl)pentyl]-2-pyrrolidino-hex-3-enoic acid Formula: C27H33NO5 MolecularWeight: 451.55462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C(C(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)CC)O)(C(=O)O)N3CCCC3

Isomeric SMILES

CC/C=C/C(C(C(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)CC)O)(C(=O)O)N3CCCC3

InChI

InChI=1S/C27H33NO5/c1-3-5-16-27(26(31)32,28-17-9-10-18-28)25(30)24(23(29)4-2)20-12-11-15-22(19-20)33-21-13-7-6-8-14-21/h5-8,11-16,19,24-25,30H,3-4,9-10,17-18H2,1-2H3,(H,31,32)/b16-5+