tert-butyl N-[2-[1-(cyanomethyl)-3,5-dimethoxy-cyclohexa-2,5-dien-1-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-[1-(cyanomethyl)-3,5-dimethoxy-cyclohexa-2,5-dien-1-yl]phenyl]carbamate Openeye Name: tert-butyl N-[2-[1-(cyanomethyl)-3,5-dimethoxy-cyclohexa-2,5-dien-1-yl]phenyl]carbamate CAS Name: N-[2-[1-(cyanomethyl)-3,5-dimethoxy-1-cyclohexa-2,5-dienyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[1-(cyanomethyl)-3,5-dimethoxycyclohexa-2,5-dien-1-yl]phenyl]carbamate Traditional Name: N-[2-[1-(cyanomethyl)-3,5-dimethoxy-cyclohexa-2,5-dien-1-yl]phenyl]carbamic acid tert-butyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C2(C=C(CC(=C2)OC)OC)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1C2(C=C(CC(=C2)OC)OC)CC#N

InChI

InChI=1S/C21H26N2O4/c1-20(2,3)27-19(24)23-18-9-7-6-8-17(18)21(10-11-22)13-15(25-4)12-16(14-21)26-5/h6-9,13-14H,10,12H2,1-5H3,(H,23,24)