(1-cyclopentyl-4-phenyl-4-phenylimino-but-2-ynyl) benzoate

Systemtic Name: (1-cyclopentyl-4-phenyl-4-phenylimino-but-2-ynyl) benzoate Openeye Name: (1-cyclopentyl-4-phenyl-4-phenylimino-but-2-ynyl) benzoate CAS Name: benzoic acid (1-cyclopentyl-4-phenyl-4-phenyliminobut-2-ynyl) ester IUPAC Name: (1-cyclopentyl-4-phenyl-4-phenyliminobut-2-ynyl) benzoate Traditional Name: benzoic acid (1-cyclopentyl-4-phenyl-4-phenylimino-but-2-ynyl) ester Formula: C28H25NO2 MolecularWeight: 407.5036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C#CC(=NC2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C(C#CC(=NC2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO2/c30-28(24-16-6-2-7-17-24)31-27(23-14-10-11-15-23)21-20-26(22-12-4-1-5-13-22)29-25-18-8-3-9-19-25/h1-9,12-13,16-19,23,27H,10-11,14-15H2