[4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-1H-indol-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(butan-2-ylamino)-2-oxidanyl-propoxy]-1H-indol-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[2-hydroxy-3-(sec-butylamino)propoxy]-1H-indol-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1H-indol-2-yl]methyl ester IUPAC Name: [4-[3-(butan-2-ylamino)-2-hydroxypropoxy]-1H-indol-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[2-hydroxy-3-(sec-butylamino)propoxy]-1H-indol-2-yl]methyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC(COC1=CC=CC2=C1C=C(N2)COC(=O)C(C)(C)C)O

Isomeric SMILES

CCC(C)NCC(COC1=CC=CC2=C1C=C(N2)COC(=O)C(C)(C)C)O

InChI

InChI=1S/C21H32N2O4/c1-6-14(2)22-11-16(24)13-26-19-9-7-8-18-17(19)10-15(23-18)12-27-20(25)21(3,4)5/h7-10,14,16,22-24H,6,11-13H2,1-5H3