diethyl (3S,4S)-3-[1-(4-methylphenyl)ethenyl]-4-pentyl-1,2-diazetidine-1,2-dicarboxylate

Systemtic Name: diethyl (3S,4S)-3-[1-(4-methylphenyl)ethenyl]-4-pentyl-1,2-diazetidine-1,2-dicarboxylate Openeye Name: diethyl (3S,4S)-3-pentyl-4-[1-(p-tolyl)vinyl]diazetidine-1,2-dicarboxylate CAS Name: (3S,4S)-3-[1-(4-methylphenyl)ethenyl]-4-pentyldiazetidine-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4S)-3-[1-(4-methylphenyl)ethenyl]-4-pentyldiazetidine-1,2-dicarboxylate Traditional Name: (3S,4S)-3-amyl-4-[1-(p-tolyl)vinyl]diazetidine-1,2-dicarboxylic acid diethyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(N(N1C(=O)OCC)C(=O)OCC)C(=C)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC[C@H]1[C@@H](N(N1C(=O)OCC)C(=O)OCC)C(=C)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H32N2O4/c1-6-9-10-11-19-20(17(5)18-14-12-16(4)13-15-18)24(22(26)28-8-3)23(19)21(25)27-7-2/h12-15,19-20H,5-11H2,1-4H3/t19-,20-/m0/s1