tert-butyl 5-dodecoxy-3-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylate

Systemtic Name: tert-butyl 5-dodecoxy-3-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylate Openeye Name: tert-butyl 5-dodecoxy-3-(2-hydroxyethyl)indoline-1-carboxylate CAS Name: 5-dodecoxy-3-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-dodecoxy-3-(2-hydroxyethyl)-2,3-dihydroindole-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-5-lauryloxy-indoline-1-carboxylic acid tert-butyl ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCO)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-19-31-23-15-16-25-24(20-23)22(17-18-29)21-28(25)26(30)32-27(2,3)4/h15-16,20,22,29H,5-14,17-19,21H2,1-4H3