2-[[1-(tert-butylamino)-1-oxidanylidene-octan-2-yl]-methyl-amino]ethyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: 2-[[1-(tert-butylamino)-1-oxidanylidene-octan-2-yl]-methyl-amino]ethyl 3-(1H-indol-3-yl)propanoate Openeye Name: 2-[1-(tert-butylcarbamoyl)heptyl-methyl-amino]ethyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid 2-[[1-(tert-butylamino)-1-oxooctan-2-yl]-methylamino]ethyl ester IUPAC Name: 2-[[1-(tert-butylamino)-1-oxooctan-2-yl]-methylamino]ethyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid 2-[1-(tert-butylcarbamoyl)heptyl-methyl-amino]ethyl ester Formula: C26H41N3O3 MolecularWeight: 443.62204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC(C)(C)C)N(C)CCOC(=O)CCC1=CNC2=CC=CC=C21

Isomeric SMILES

CCCCCCC(C(=O)NC(C)(C)C)N(C)CCOC(=O)CCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C26H41N3O3/c1-6-7-8-9-14-23(25(31)28-26(2,3)4)29(5)17-18-32-24(30)16-15-20-19-27-22-13-11-10-12-21(20)22/h10-13,19,23,27H,6-9,14-18H2,1-5H3,(H,28,31)