diethyl (4S)-4-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-4-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-4-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-[3-(4-ethoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-4-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C31H35N3O5 MolecularWeight: 529.6267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C=C2C3C(C(=NC(=C3C(=O)OCC)C)C)C(=O)OCC)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C=C2[C@@H]3C(C(=NC(=C3C(=O)OCC)C)C)C(=O)OCC)C4=CC=CC=C4)C

InChI

InChI=1S/C31H35N3O5/c1-7-37-25-16-15-22(17-19(25)4)29-24(18-34(33-29)23-13-11-10-12-14-23)28-26(30(35)38-8-2)20(5)32-21(6)27(28)31(36)39-9-3/h10-18,26,28H,7-9H2,1-6H3/t26?,28-/m1/s1