[(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynyl] benzoate

Systemtic Name: [(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynyl] benzoate Openeye Name: [(E)-2,2-dimethyl-7-[methyl(1-naphthylmethyl)amino]hept-5-en-3-ynyl] benzoate CAS Name: benzoic acid [(E)-2,2-dimethyl-7-[methyl(1-naphthalenylmethyl)amino]hept-5-en-3-ynyl] ester IUPAC Name: [(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)amino]hept-5-en-3-ynyl] benzoate Traditional Name: benzoic acid [(E)-2,2-dimethyl-7-[methyl(1-naphthylmethyl)amino]hept-5-en-3-ynyl] ester Formula: C28H29NO2 MolecularWeight: 411.53536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=CC=C1)C#CC=CCN(C)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(COC(=O)C1=CC=CC=C1)C#C/C=C/CN(C)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C28H29NO2/c1-28(2,22-31-27(30)24-14-6-4-7-15-24)19-10-5-11-20-29(3)21-25-17-12-16-23-13-8-9-18-26(23)25/h4-9,11-18H,20-22H2,1-3H3/b11-5+