(2-chrysen-6-yl-4-oxidanylidene-1-phenyl-azetidin-3-yl) ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC4=C(C=CC5=CC=CC=C54)C6=CC=CC=C63

Isomeric SMILES

CC(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC4=C(C=CC5=CC=CC=C54)C6=CC=CC=C63

InChI

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