bis[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxidanylidene-pentan-2-yl] benzene-1,3-dicarboxylate

Systemtic Name: bis[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxidanylidene-pentan-2-yl] benzene-1,3-dicarboxylate Openeye Name: bis[(1S)-1-(isobutylcarbamoyl)-3-methyl-butyl] benzene-1,3-dicarboxylate CAS Name: benzene-1,3-dicarboxylic acid bis[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl] ester IUPAC Name: bis[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl] benzene-1,3-dicarboxylate Traditional Name: benzene-1,3-dicarboxylic acid bis[(1S)-1-(isobutylcarbamoyl)-3-methyl-butyl] ester Formula: C28H44N2O6 MolecularWeight: 504.65876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(C)C)OC(=O)C1=CC(=CC=C1)C(=O)OC(CC(C)C)C(=O)NCC(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC(=CC=C1)C(=O)O[C@@H](CC(C)C)C(=O)NCC(C)C

InChI

InChI=1S/C28H44N2O6/c1-17(2)12-23(25(31)29-15-19(5)6)35-27(33)21-10-9-11-22(14-21)28(34)36-24(13-18(3)4)26(32)30-16-20(7)8/h9-11,14,17-20,23-24H,12-13,15-16H2,1-8H3,(H,29,31)(H,30,32)/t23-,24-/m0/s1