tert-butyl 3-[2-[3-[2-cyanoethyl(3-oxidanylpropyl)amino]propylamino]-2-oxidanylidene-ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[3-[2-cyanoethyl(3-oxidanylpropyl)amino]propylamino]-2-oxidanylidene-ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[3-[2-cyanoethyl(3-hydroxypropyl)amino]propylamino]-2-oxo-ethyl]indole-1-carboxylate CAS Name: 3-[2-[3-[2-cyanoethyl(3-hydroxypropyl)amino]propylamino]-2-oxoethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[3-[2-cyanoethyl(3-hydroxypropyl)amino]propylamino]-2-oxoethyl]indole-1-carboxylate Traditional Name: 3-[2-[3-[2-cyanoethyl(3-hydroxypropyl)amino]propylamino]-2-keto-ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C24H34N4O4 MolecularWeight: 442.55116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(=O)NCCCN(CCCO)CCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(=O)NCCCN(CCCO)CCC#N

InChI

InChI=1S/C24H34N4O4/c1-24(2,3)32-23(31)28-18-19(20-9-4-5-10-21(20)28)17-22(30)26-12-7-14-27(13-6-11-25)15-8-16-29/h4-5,9-10,18,29H,6-8,12-17H2,1-3H3,(H,26,30)