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

Systemtic Name: ethyl 4-[[2-[(3S)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C30H27N3O3 MolecularWeight: 477.55368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C30H27N3O3/c1-2-36-30(35)23-14-16-26(17-15-23)31-20-29(34)33-28(22-9-4-3-5-10-22)19-27(32-33)25-13-12-21-8-6-7-11-24(21)18-25/h3-18,28,31H,2,19-20H2,1H3/t28-/m0/s1