[7-[methyl(prop-2-ynyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl] benzoate

Systemtic Name: [7-[methyl(prop-2-ynyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl] benzoate Openeye Name: [3-[methyl(prop-2-ynyl)amino]tetralin-6-yl] benzoate CAS Name: benzoic acid [7-[methyl(prop-2-ynyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl] ester IUPAC Name: [7-[methyl(prop-2-ynyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl] benzoate Traditional Name: benzoic acid [3-[methyl(propargyl)amino]tetralin-6-yl] ester Formula: C21H21NO2 MolecularWeight: 319.39694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC#C)C1CCC2=C(C1)C=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC#C)C1CCC2=C(C1)C=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO2/c1-3-13-22(2)19-11-9-16-10-12-20(15-18(16)14-19)24-21(23)17-7-5-4-6-8-17/h1,4-8,10,12,15,19H,9,11,13-14H2,2H3