[[azanyl-(4-tert-butylphenyl)methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate

Systemtic Name: [[azanyl-(4-tert-butylphenyl)methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate Openeye Name: [[amino-(4-tert-butylphenyl)methylene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid [[amino-(4-tert-butylphenyl)methylidene]amino] ester IUPAC Name: [[amino-(4-tert-butylphenyl)methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate Traditional Name: 5-(2-phenylethynyl)nicotinic acid [[amino-(4-tert-butylphenyl)methylene]amino] ester Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=NOC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=NOC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3)N

InChI

InChI=1S/C25H23N3O2/c1-25(2,3)22-13-11-20(12-14-22)23(26)28-30-24(29)21-15-19(16-27-17-21)10-9-18-7-5-4-6-8-18/h4-8,11-17H,1-3H3,(H2,26,28)