tert-butyl N-(1-bromanyl-7-cyano-4-phenylmethoxy-naphthalen-2-yl)-N-(2-oxidanylideneethyl)carbamate

Systemtic Name: tert-butyl N-(1-bromanyl-7-cyano-4-phenylmethoxy-naphthalen-2-yl)-N-(2-oxidanylideneethyl)carbamate Openeye Name: tert-butyl N-(4-benzyloxy-1-bromo-7-cyano-2-naphthyl)-N-(2-oxoethyl)carbamate CAS Name: N-(1-bromo-7-cyano-4-phenylmethoxy-2-naphthalenyl)-N-(2-oxoethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-bromo-7-cyano-4-phenylmethoxynaphthalen-2-yl)-N-(2-oxoethyl)carbamate Traditional Name: N-(4-benzoxy-1-bromo-7-cyano-2-naphthyl)-N-(2-ketoethyl)carbamic acid tert-butyl ester Formula: C25H23BrN2O4 MolecularWeight: 495.36512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC=O)C1=CC(=C2C=CC(=CC2=C1Br)C#N)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC=O)C1=CC(=C2C=CC(=CC2=C1Br)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23BrN2O4/c1-25(2,3)32-24(30)28(11-12-29)21-14-22(31-16-17-7-5-4-6-8-17)19-10-9-18(15-27)13-20(19)23(21)26/h4-10,12-14H,11,16H2,1-3H3