methyl 4-[[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-[(3S)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[(3S)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[(5S)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl]amino]benzoic acid methyl ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC(=O)N2[C@@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O3/c1-35-29(34)22-13-15-25(16-14-22)30-19-28(33)32-27(21-8-3-2-4-9-21)18-26(31-32)24-12-11-20-7-5-6-10-23(20)17-24/h2-17,27,30H,18-19H2,1H3/t27-/m0/s1