methyl 4-[(3R)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoate

Systemtic Name: methyl 4-[(3R)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoate Openeye Name: methyl 4-[(3R)-3-phenyl-5-[(E)-styryl]-3,4-dihydropyrazol-2-yl]benzoate CAS Name: 4-[(3R)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3R)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]benzoate Traditional Name: 4-[(5R)-5-phenyl-3-[(E)-styryl]-2-pyrazolin-1-yl]benzoic acid methyl ester Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(CC(=N2)C=CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2[C@H](CC(=N2)/C=C/C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O2/c1-29-25(28)21-13-16-23(17-14-21)27-24(20-10-6-3-7-11-20)18-22(26-27)15-12-19-8-4-2-5-9-19/h2-17,24H,18H2,1H3/b15-12+/t24-/m1/s1