ethyl 3-[3-(cyanomethyl)cyclobutyl]-3-oxidanylidene-2-(9H-xanthen-9-yl)propanoate

Systemtic Name: ethyl 3-[3-(cyanomethyl)cyclobutyl]-3-oxidanylidene-2-(9H-xanthen-9-yl)propanoate Openeye Name: ethyl 3-[3-(cyanomethyl)cyclobutyl]-3-oxo-2-(9H-xanthen-9-yl)propanoate CAS Name: 3-[3-(cyanomethyl)cyclobutyl]-3-oxo-2-(9H-xanthen-9-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(cyanomethyl)cyclobutyl]-3-oxo-2-(9H-xanthen-9-yl)propanoate Traditional Name: 3-[3-(cyanomethyl)cyclobutyl]-3-keto-2-(9H-xanthen-9-yl)propionic acid ethyl ester Formula: C24H23NO4 MolecularWeight: 389.44372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)C4CC(C4)CC#N

Isomeric SMILES

CCOC(=O)C(C1C2=CC=CC=C2OC3=CC=CC=C13)C(=O)C4CC(C4)CC#N

InChI

InChI=1S/C24H23NO4/c1-2-28-24(27)22(23(26)16-13-15(14-16)11-12-25)21-17-7-3-5-9-19(17)29-20-10-6-4-8-18(20)21/h3-10,15-16,21-22H,2,11,13-14H2,1H3