tert-butyl 3-[4-[(E)-1-(5-cyano-1H-indol-2-yl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[(E)-1-(5-cyano-1H-indol-2-yl)-3-methoxy-3-oxidanylidene-prop-1-en-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[(E)-2-(5-cyano-1H-indol-2-yl)-1-methoxycarbonyl-vinyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[(E)-1-(5-cyano-1H-indol-2-yl)-3-methoxy-3-oxoprop-1-en-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[(E)-1-(5-cyano-1H-indol-2-yl)-3-methoxy-3-oxoprop-1-en-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[(E)-1-carbomethoxy-2-(5-cyano-1H-indol-2-yl)vinyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)C(=CC3=CC4=C(N3)C=CC(=C4)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=C(C=C2)/C(=C\C3=CC4=C(N3)C=CC(=C4)C#N)/C(=O)OC

InChI

InChI=1S/C28H29N3O5/c1-28(2,3)36-27(33)31-12-11-23(17-31)35-22-8-6-19(7-9-22)24(26(32)34-4)15-21-14-20-13-18(16-29)5-10-25(20)30-21/h5-10,13-15,23,30H,11-12,17H2,1-4H3/b24-15+