tert-butyl N-[7-cyclopropyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl]carbamate; tert-butyl N-[(1E,3E)-4-cyclopropylbuta-1,3-dienyl]carbamate

Systemtic Name: tert-butyl N-[7-cyclopropyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl]carbamate; tert-butyl N-[(1E,3E)-4-cyclopropylbuta-1,3-dienyl]carbamate Openeye Name: tert-butyl N-[(1E,3E)-4-cyclopropylbuta-1,3-dienyl]carbamate; tert-butyl N-(7-cyclopropyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl)carbamate CAS Name: N-[(1E,3E)-4-cyclopropylbuta-1,3-dienyl]carbamic acid tert-butyl ester; N-(7-cyclopropyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1E,3E)-4-cyclopropylbuta-1,3-dienyl]carbamate; tert-butyl N-(7-cyclopropyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl)carbamate Traditional Name: N-[(1E,3E)-4-cyclopropylbuta-1,3-dienyl]carbamic acid tert-butyl ester; N-(7-cyclopropyl-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-4-yl)carbamic acid tert-butyl ester Formula: C28H41N3O6 MolecularWeight: 515.64164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC=CC=CC1CC1.CC(C)(C)OC(=O)NC1C=CC(C2C1C(=O)NC2=O)C3CC3

Isomeric SMILES

CC(C)(C)OC(=O)N/C=C/C=C/C1CC1.CC(C)(C)OC(=O)NC1C=CC(C2C1C(=O)NC2=O)C3CC3

InChI

InChI=1S/C16H22N2O4.C12H19NO2/c1-16(2,3)22-15(21)17-10-7-6-9(8-4-5-8)11-12(10)14(20)18-13(11)19;1-12(2,3)15-11(14)13-9-5-4-6-10-7-8-10/h6-12H,4-5H2,1-3H3,(H,17,21)(H,18,19,20);4-6,9-10H,7-8H2,1-3H3,(H,13,14)/b;6-4+,9-5+