[(2S,4R)-1-chrysen-6-yl-3-oxidanylidene-4-phenyl-azetidin-2-yl] ethanoate

Systemtic Name: [(2S,4R)-1-chrysen-6-yl-3-oxidanylidene-4-phenyl-azetidin-2-yl] ethanoate Openeye Name: [(2S,4R)-1-chrysen-6-yl-3-oxo-4-phenyl-azetidin-2-yl] acetate CAS Name: acetic acid [(2S,4R)-1-(6-chrysenyl)-3-oxo-4-phenyl-2-azetidinyl] ester IUPAC Name: [(2S,4R)-1-chrysen-6-yl-3-oxo-4-phenylazetidin-2-yl] acetate Traditional Name: acetic acid [(2S,4R)-1-chrysen-6-yl-3-keto-4-phenyl-azetidin-2-yl] ester Formula: C29H21NO3 MolecularWeight: 431.48194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=O)C(N1C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=C6

Isomeric SMILES

CC(=O)O[C@H]1C(=O)[C@H](N1C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=C6

InChI

InChI=1S/C29H21NO3/c1-18(31)33-29-28(32)27(20-10-3-2-4-11-20)30(29)26-17-25-21-12-6-5-9-19(21)15-16-23(25)22-13-7-8-14-24(22)26/h2-17,27,29H,1H3/t27-,29+/m1/s1