tert-butyl 3-[3-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenoxy]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-[3-[3-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]phenyl]phenoxy]pyrrole-1-carboxylate Openeye Name: tert-butyl 3-[3-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenoxy]pyrrole-1-carboxylate CAS Name: 3-[3-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenoxy]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[3-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]phenyl]phenoxy]pyrrole-1-carboxylate Traditional Name: 3-[3-[3-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]phenyl]phenoxy]pyrrole-1-carboxylic acid tert-butyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)OC3=CN(C=C3)C(=O)OC(C)(C)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC(=CC=C2)OC3=CN(C=C3)C(=O)OC(C)(C)C)C(=O)NCC#N

InChI

InChI=1S/C29H33N3O4/c1-20(2)16-26(27(33)31-14-13-30)23-10-6-8-21(17-23)22-9-7-11-24(18-22)35-25-12-15-32(19-25)28(34)36-29(3,4)5/h6-12,15,17-20,26H,14,16H2,1-5H3,(H,31,33)