[2-(dimethylaminomethyl)-3-bicyclo[2.2.1]heptanyl] 4-butoxybenzoate

Systemtic Name: [2-(dimethylaminomethyl)-3-bicyclo[2.2.1]heptanyl] 4-butoxybenzoate Openeye Name: [3-(dimethylaminomethyl)norbornan-2-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(dimethylaminomethyl)-3-bicyclo[2.2.1]heptanyl] ester IUPAC Name: [2-(dimethylaminomethyl)-3-bicyclo[2.2.1]heptanyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [3-(dimethylaminomethyl)norbornan-2-yl] ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2C3CCC(C3)C2CN(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2C3CCC(C3)C2CN(C)C

InChI

InChI=1S/C21H31NO3/c1-4-5-12-24-18-10-8-15(9-11-18)21(23)25-20-17-7-6-16(13-17)19(20)14-22(2)3/h8-11,16-17,19-20H,4-7,12-14H2,1-3H3