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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CC2CCCCC2N1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1CC2CCCCC2N1C(=O)OCC3=CC=CC=C3

InChI

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