(4-methoxyphenyl)methyl 2-[(4-bromanyl-1-methyl-pyrazol-3-yl)amino]-4-methyl-pentanoate

Systemtic Name: (4-methoxyphenyl)methyl 2-[(4-bromanyl-1-methyl-pyrazol-3-yl)amino]-4-methyl-pentanoate Openeye Name: (4-methoxyphenyl)methyl 2-[(4-bromo-1-methyl-pyrazol-3-yl)amino]-4-methyl-pentanoate CAS Name: 2-[(4-bromo-1-methyl-3-pyrazolyl)amino]-4-methylpentanoic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[(4-bromo-1-methylpyrazol-3-yl)amino]-4-methylpentanoate Traditional Name: 2-[(4-bromo-1-methyl-pyrazol-3-yl)amino]-4-methyl-valeric acid p-anisyl ester Formula: C18H24BrN3O3 MolecularWeight: 410.30546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=C(C=C1)OC)NC2=NN(C=C2Br)C

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=C(C=C1)OC)NC2=NN(C=C2Br)C

InChI

InChI=1S/C18H24BrN3O3/c1-12(2)9-16(20-17-15(19)10-22(3)21-17)18(23)25-11-13-5-7-14(24-4)8-6-13/h5-8,10,12,16H,9,11H2,1-4H3,(H,20,21)