methyl 4-(7-butyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-yl)benzoate

Systemtic Name: methyl 4-(7-butyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-yl)benzoate Openeye Name: methyl 4-(7-butyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-yl)benzoate CAS Name: 4-(7-butyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(7-butyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-yl)benzoate Traditional Name: 4-(7-butyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-yl)benzoic acid methyl ester Formula: C19H21NO2 MolecularWeight: 295.37554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C21)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(C2=CC=CC=C21)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H21NO2/c1-3-4-13-20-17-8-6-5-7-16(17)18(20)14-9-11-15(12-10-14)19(21)22-2/h5-12,18H,3-4,13H2,1-2H3