3-methylbutyl (Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate

Systemtic Name: 3-methylbutyl (Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate Openeye Name: isopentyl (Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate CAS Name: (Z)-2-cyano-3-(1H-indol-3-yl)-2-propenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate Traditional Name: (Z)-2-cyano-3-(1H-indol-3-yl)acrylic acid isoamyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(=CC1=CNC2=CC=CC=C21)C#N

Isomeric SMILES

CC(C)CCOC(=O)/C(=C\C1=CNC2=CC=CC=C21)/C#N

InChI

InChI=1S/C17H18N2O2/c1-12(2)7-8-21-17(20)13(10-18)9-14-11-19-16-6-4-3-5-15(14)16/h3-6,9,11-12,19H,7-8H2,1-2H3/b13-9-