tert-butyl 7-[(5-cyano-1H-indol-2-yl)carbonylamino]-3-methyl-heptanoate

Systemtic Name: tert-butyl 7-[(5-cyano-1H-indol-2-yl)carbonylamino]-3-methyl-heptanoate Openeye Name: tert-butyl 7-[(5-cyano-1H-indole-2-carbonyl)amino]-3-methyl-heptanoate CAS Name: 7-[[(5-cyano-1H-indol-2-yl)-oxomethyl]amino]-3-methylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 7-[(5-cyano-1H-indole-2-carbonyl)amino]-3-methylheptanoate Traditional Name: 7-[(5-cyano-1H-indole-2-carbonyl)amino]-3-methyl-enanthic acid tert-butyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C#N)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(CCCCNC(=O)C1=CC2=C(N1)C=CC(=C2)C#N)CC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O3/c1-15(11-20(26)28-22(2,3)4)7-5-6-10-24-21(27)19-13-17-12-16(14-23)8-9-18(17)25-19/h8-9,12-13,15,25H,5-7,10-11H2,1-4H3,(H,24,27)