[1-(phenylmethyl)piperidin-4-yl] 4-bromanyl-2-methyl-benzoate

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 4-bromanyl-2-methyl-benzoate Openeye Name: (1-benzyl-4-piperidyl) 4-bromo-2-methyl-benzoate CAS Name: 4-bromo-2-methylbenzoic acid [1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-4-yl) 4-bromo-2-methylbenzoate Traditional Name: 4-bromo-2-methyl-benzoic acid (1-benzyl-4-piperidyl) ester Formula: C20H22BrNO2 MolecularWeight: 388.29818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)OC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)OC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO2/c1-15-13-17(21)7-8-19(15)20(23)24-18-9-11-22(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3