tert-butyl 7-cyano-1-ethanoyl-2,3-dihydroindole-5-carboxylate; 1-[2-(2-ethoxyphenoxy)ethyl]-2-methyl-aziridine

Systemtic Name: tert-butyl 7-cyano-1-ethanoyl-2,3-dihydroindole-5-carboxylate; 1-[2-(2-ethoxyphenoxy)ethyl]-2-methyl-aziridine Openeye Name: tert-butyl 1-acetyl-7-cyano-indoline-5-carboxylate; 1-[2-(2-ethoxyphenoxy)ethyl]-2-methyl-aziridine CAS Name: 1-acetyl-7-cyano-2,3-dihydroindole-5-carboxylic acid tert-butyl ester; 1-[2-(2-ethoxyphenoxy)ethyl]-2-methylaziridine IUPAC Name: tert-butyl 1-acetyl-7-cyano-2,3-dihydroindole-5-carboxylate; 1-[2-(2-ethoxyphenoxy)ethyl]-2-methylaziridine Traditional Name: 1-acetyl-7-cyano-indoline-5-carboxylic acid tert-butyl ester; 1-[2-(2-ethoxyphenoxy)ethyl]-2-methyl-ethylenimine Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCN2CC2C.CC(=O)N1CCC2=C1C(=CC(=C2)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1OCCN2CC2C.CC(=O)N1CCC2=C1C(=CC(=C2)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C16H18N2O3.C13H19NO2/c1-10(19)18-6-5-11-7-12(8-13(9-17)14(11)18)15(20)21-16(2,3)4;1-3-15-12-6-4-5-7-13(12)16-9-8-14-10-11(14)2/h7-8H,5-6H2,1-4H3;4-7,11H,3,8-10H2,1-2H3