tert-butyl 7-[[5-cyano-1-(phenylmethyl)indol-2-yl]carbonylamino]heptanoate

Systemtic Name: tert-butyl 7-[[5-cyano-1-(phenylmethyl)indol-2-yl]carbonylamino]heptanoate Openeye Name: tert-butyl 7-[(1-benzyl-5-cyano-indole-2-carbonyl)amino]heptanoate CAS Name: 7-[[[5-cyano-1-(phenylmethyl)-2-indolyl]-oxomethyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(1-benzyl-5-cyanoindole-2-carbonyl)amino]heptanoate Traditional Name: 7-[(1-benzyl-5-cyano-indole-2-carbonyl)amino]enanthic acid tert-butyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCCNC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C#N

InChI

InChI=1S/C28H33N3O3/c1-28(2,3)34-26(32)13-9-4-5-10-16-30-27(33)25-18-23-17-22(19-29)14-15-24(23)31(25)20-21-11-7-6-8-12-21/h6-8,11-12,14-15,17-18H,4-5,9-10,13,16,20H2,1-3H3,(H,30,33)