methyl 3-(3-anthracen-9-yl-2-isocyanato-1-methoxy-1-oxidanylidene-propan-2-yl)cyclobutane-1-carboxylate

Systemtic Name: methyl 3-(3-anthracen-9-yl-2-isocyanato-1-methoxy-1-oxidanylidene-propan-2-yl)cyclobutane-1-carboxylate Openeye Name: methyl 3-[1-(9-anthrylmethyl)-1-isocyanato-2-methoxy-2-oxo-ethyl]cyclobutanecarboxylate CAS Name: 3-[3-(9-anthracenyl)-2-isocyanato-1-methoxy-1-oxopropan-2-yl]-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-anthracen-9-yl-2-isocyanato-1-methoxy-1-oxopropan-2-yl)cyclobutane-1-carboxylate Traditional Name: 3-[1-(9-anthrylmethyl)-1-isocyanato-2-keto-2-methoxy-ethyl]cyclobutanecarboxylic acid methyl ester Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C1)C(CC2=C3C=CC=CC3=CC4=CC=CC=C42)(C(=O)OC)N=C=O

Isomeric SMILES

COC(=O)C1CC(C1)C(CC2=C3C=CC=CC3=CC4=CC=CC=C42)(C(=O)OC)N=C=O

InChI

InChI=1S/C25H23NO5/c1-30-23(28)18-12-19(13-18)25(26-15-27,24(29)31-2)14-22-20-9-5-3-7-16(20)11-17-8-4-6-10-21(17)22/h3-11,18-19H,12-14H2,1-2H3