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

Systemtic Name: dimethyl (4S)-4-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl (4S)-4-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-[3-(4-methoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-4-[3-(4-methoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-[3-(4-methoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C=C2C3C(C(=NC(=C3C(=O)OC)C)C)C(=O)OC)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C=C2[C@@H]3C(C(=NC(=C3C(=O)OC)C)C)C(=O)OC)C4=CC=CC=C4)OC

InChI

InChI=1S/C28H29N3O5/c1-16-14-19(12-13-22(16)34-4)26-21(15-31(30-26)20-10-8-7-9-11-20)25-23(27(32)35-5)17(2)29-18(3)24(25)28(33)36-6/h7-15,23,25H,1-6H3/t23?,25-/m1/s1