[(3S,4R)-2-oxidanylidene-4-[(E)-2-phenylethenyl]-1-pyren-1-yl-azetidin-3-yl] ethanoate

Systemtic Name: [(3S,4R)-2-oxidanylidene-4-[(E)-2-phenylethenyl]-1-pyren-1-yl-azetidin-3-yl] ethanoate Openeye Name: [(3S,4R)-2-oxo-1-pyren-1-yl-4-[(E)-styryl]azetidin-3-yl] acetate CAS Name: acetic acid [(3S,4R)-2-oxo-4-[(E)-2-phenylethenyl]-1-(1-pyrenyl)-3-azetidinyl] ester IUPAC Name: [(3S,4R)-2-oxo-4-[(E)-2-phenylethenyl]-1-pyren-1-ylazetidin-3-yl] acetate Traditional Name: acetic acid [(3S,4R)-2-keto-1-pyren-1-yl-4-[(E)-styryl]azetidin-3-yl] ester Formula: C29H21NO3 MolecularWeight: 431.48194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C1=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C=CC6=CC=CC=C6

Isomeric SMILES

CC(=O)O[C@H]1[C@H](N(C1=O)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)/C=C/C6=CC=CC=C6

InChI

InChI=1S/C29H21NO3/c1-18(31)33-28-25(16-10-19-6-3-2-4-7-19)30(29(28)32)24-17-14-22-12-11-20-8-5-9-21-13-15-23(24)27(22)26(20)21/h2-17,25,28H,1H3/b16-10+/t25-,28+/m1/s1