(E)-3-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-2-cyano-acrylic acid Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2C=C(C#N)C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2/C=C(\C#N)/C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H22N2O3/c1-3-4-5-15-6-11-21-19(12-15)20(13-17(14-24)23(26)27)22(25-21)16-7-9-18(28-2)10-8-16/h6-13,25H,3-5H2,1-2H3,(H,26,27)/b17-13+