tert-butyl 2-cyano-3-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-3-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]-2-cyano-indole-1-carboxylate CAS Name: 2-cyano-3-[3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-3-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indole-1-carboxylate Traditional Name: 3-[2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]-2-cyano-indole-1-carboxylic acid tert-butyl ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)C#N)C(=O)OC

InChI

InChI=1S/C23H29N3O6/c1-22(2,3)31-20(28)25-16(19(27)30-7)12-15-14-10-8-9-11-17(14)26(18(15)13-24)21(29)32-23(4,5)6/h8-11,16H,12H2,1-7H3,(H,25,28)