4-[(E)-(1-butyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-(1-butyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(1-butyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(1-butyl-3-cyano-4,5-diphenyl-2-pyrrolyl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(1-butyl-3-cyano-4,5-diphenylpyrrol-2-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(1-butyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)iminomethyl]benzoic acid Formula: C29H25N3O2 MolecularWeight: 447.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1N=CC2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(C(=C1/N=C/C2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H25N3O2/c1-2-3-18-32-27(23-12-8-5-9-13-23)26(22-10-6-4-7-11-22)25(19-30)28(32)31-20-21-14-16-24(17-15-21)29(33)34/h4-17,20H,2-3,18H2,1H3,(H,33,34)/b31-20+