ethyl 1-(3-methoxyphenyl)-4-[(2S)-6-methylhept-5-en-2-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(3-methoxyphenyl)-4-[(2S)-6-methylhept-5-en-2-yl]pyrazole-3-carboxylate Openeye Name: ethyl 4-[(1S)-1,5-dimethylhex-4-enyl]-1-(3-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 1-(3-methoxyphenyl)-4-[(2S)-6-methylhept-5-en-2-yl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methoxyphenyl)-4-[(2S)-6-methylhept-5-en-2-yl]pyrazole-3-carboxylate Traditional Name: 4-[(1S)-1,5-dimethylhex-4-enyl]-1-(3-methoxyphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C(C)CCC=C(C)C)C2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)C1=NN(C=C1[C@@H](C)CCC=C(C)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H28N2O3/c1-6-26-21(24)20-19(16(4)10-7-9-15(2)3)14-23(22-20)17-11-8-12-18(13-17)25-5/h8-9,11-14,16H,6-7,10H2,1-5H3/t16-/m0/s1