ethyl 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-methyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylate CAS Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-5-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC(C)(C)C)O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CNC(C)(C)C)O)CC3=CC=CC=C3)C

InChI

InChI=1S/C26H34N2O4/c1-6-31-25(30)24-18(2)28(16-19-10-8-7-9-11-19)23-13-12-21(14-22(23)24)32-17-20(29)15-27-26(3,4)5/h7-14,20,27,29H,6,15-17H2,1-5H3