O2-butan-2-yl O1-(phenylmethyl) 2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate

Systemtic Name: O2-butan-2-yl O1-(phenylmethyl) 2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate Openeye Name: O1-benzyl O2-sec-butyl 2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate CAS Name: 2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylic acid O2-butan-2-yl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-butan-2-yl 2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylate Traditional Name: 2,3,3a,4,5,6,7,7a-octahydroindole-1,2-dicarboxylic acid O1-benzyl ester O2-sec-butyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1CC2CCCCC2N1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)OC(=O)C1CC2CCCCC2N1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H29NO4/c1-3-15(2)26-20(23)19-13-17-11-7-8-12-18(17)22(19)21(24)25-14-16-9-5-4-6-10-16/h4-6,9-10,15,17-19H,3,7-8,11-14H2,1-2H3