ethyl 4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate

Systemtic Name: ethyl 4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate Openeye Name: ethyl 4-[2-(1-imidazol-1-yl-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoate CAS Name: 4-[2-[5-(1-imidazolyl)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]benzoate Traditional Name: 4-[2-(1-imidazol-1-yl-4,4-dimethyl-tetralin-6-yl)ethynyl]benzoic acid ethyl ester Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CCC3(C)C)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CCC3(C)C)N4C=CN=C4

InChI

InChI=1S/C26H26N2O2/c1-4-30-25(29)21-10-7-19(8-11-21)5-6-20-9-12-22-23(17-20)26(2,3)14-13-24(22)28-16-15-27-18-28/h7-12,15-18,24H,4,13-14H2,1-3H3