[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-azanylbenzoate

Systemtic Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-azanylbenzoate Openeye Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=CC(=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C=C(NN2C(=O)COC(=O)C3=CC(=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4/c1-31-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)27-28(23)24(29)16-32-25(30)19-8-5-9-20(26)14-19/h2-15,23,27H,16,26H2,1H3/t23-/m1/s1