2-[3-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]indol-1-yl]acetic acid Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CN(C4=CC=CC=C43)CC(=O)O)/C#N

InChI

InChI=1S/C21H16N4O2/c1-13-6-7-17-18(8-13)24-21(23-17)14(10-22)9-15-11-25(12-20(26)27)19-5-3-2-4-16(15)19/h2-9,11H,12H2,1H3,(H,23,24)(H,26,27)/b14-9-