3-[3-oxidanylidene-4-[(triphenylmethyl)amino]azetidin-2-yl]prop-2-ynyl ethanoate

Systemtic Name: 3-[3-oxidanylidene-4-[(triphenylmethyl)amino]azetidin-2-yl]prop-2-ynyl ethanoate Openeye Name: 3-[3-oxo-4-(tritylamino)azetidin-2-yl]prop-2-ynyl acetate CAS Name: acetic acid 3-[3-oxo-4-[(triphenylmethyl)amino]-2-azetidinyl]prop-2-ynyl ester IUPAC Name: 3-[3-oxo-4-(tritylamino)azetidin-2-yl]prop-2-ynyl acetate Traditional Name: acetic acid 3-[3-keto-4-(tritylamino)azetidin-2-yl]prop-2-ynyl ester Formula: C27H24N2O3 MolecularWeight: 424.49106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CC1C(=O)C(N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OCC#CC1C(=O)C(N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3/c1-20(30)32-19-11-18-24-25(31)26(28-24)29-27(21-12-5-2-6-13-21,22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,24,26,28-29H,19H2,1H3