[6-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]hepta-3,4-dienyl] benzoate

Systemtic Name: [6-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]hepta-3,4-dienyl] benzoate Openeye Name: [3-[[tert-butoxycarbonyl(methyl)amino]methyl]-6-methyl-hepta-3,4-dienyl] benzoate CAS Name: benzoic acid [6-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]hepta-3,4-dienyl] ester IUPAC Name: [6-methyl-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]hepta-3,4-dienyl] benzoate Traditional Name: benzoic acid [3-[[tert-butoxycarbonyl(methyl)amino]methyl]-6-methyl-hepta-3,4-dienyl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=C=C(CCOC(=O)C1=CC=CC=C1)CN(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C=C=C(CCOC(=O)C1=CC=CC=C1)CN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31NO4/c1-17(2)12-13-18(16-23(6)21(25)27-22(3,4)5)14-15-26-20(24)19-10-8-7-9-11-19/h7-12,17H,14-16H2,1-6H3