tert-butyl N-[(E,3S)-2,7-dimethyl-6-[(phenylmethyl)carbamoyl]oct-4-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3S)-2,7-dimethyl-6-[(phenylmethyl)carbamoyl]oct-4-en-3-yl]carbamate Openeye Name: tert-butyl N-[(E,1S)-4-(benzylcarbamoyl)-1-isopropyl-5-methyl-hex-2-enyl]carbamate CAS Name: N-[(E,3S)-2,7-dimethyl-6-[oxo-[(phenylmethyl)amino]methyl]oct-4-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3S)-6-(benzylcarbamoyl)-2,7-dimethyloct-4-en-3-yl]carbamate Traditional Name: N-[(E,1S)-4-(benzylcarbamoyl)-1-isopropyl-5-methyl-hex-2-enyl]carbamic acid tert-butyl ester Formula: C23H36N2O3 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=CC(C(C)C)NC(=O)OC(C)(C)C)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](/C=C/C(C(C)C)C(=O)NCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H36N2O3/c1-16(2)19(21(26)24-15-18-11-9-8-10-12-18)13-14-20(17(3)4)25-22(27)28-23(5,6)7/h8-14,16-17,19-20H,15H2,1-7H3,(H,24,26)(H,25,27)/b14-13+/t19?,20-/m1/s1