ethyl (E)-3-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-3-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]but-2-enoate Openeye Name: ethyl (E)-3-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]but-2-enoate CAS Name: (E)-3-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]but-2-enoate Traditional Name: (E)-3-[(5S)-3,5-diphenyl-3-pyrazolin-1-yl]but-2-enoic acid ethyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N1C(C=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C(\C)/N1[C@@H](C=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-3-25-21(24)14-16(2)23-20(18-12-8-5-9-13-18)15-19(22-23)17-10-6-4-7-11-17/h4-15,20,22H,3H2,1-2H3/b16-14+/t20-/m0/s1