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

Systemtic Name: [4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]phenyl] ethanoate Openeye Name: [4-[2-(1-imidazol-1-yl-4,4-dimethyl-tetralin-6-yl)ethynyl]phenyl] acetate CAS Name: acetic acid [4-[2-[5-(1-imidazolyl)-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]phenyl] ester IUPAC Name: [4-[2-(5-imidazol-1-yl-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]phenyl] acetate Traditional Name: acetic acid [4-[2-(1-imidazol-1-yl-4,4-dimethyl-tetralin-6-yl)ethynyl]phenyl] ester Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CCC3(C)C)N4C=CN=C4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CCC3(C)C)N4C=CN=C4

InChI

InChI=1S/C25H24N2O2/c1-18(28)29-21-9-6-19(7-10-21)4-5-20-8-11-22-23(16-20)25(2,3)13-12-24(22)27-15-14-26-17-27/h6-11,14-17,24H,12-13H2,1-3H3