2,2-diphenylethyl (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate

Systemtic Name: 2,2-diphenylethyl (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate Openeye Name: 2,2-diphenylethyl (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate CAS Name: (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-propenoic acid 2,2-diphenylethyl ester IUPAC Name: 2,2-diphenylethyl (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate Traditional Name: (Z)-3-cyano-2-(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)acrylic acid 2,2-diphenylethyl ester Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(N2)C(=CC#N)C(=O)OCC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(N2)/C(=C/C#N)/C(=O)OCC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H23N3O2/c1-18-15-19(2)29-26-23(18)16-25(30-26)22(13-14-28)27(31)32-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-13,15-16,24H,17H2,1-2H3,(H,29,30)/b22-13-