bis(2-methoxyethyl) 4-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(2-methoxyethyl) 4-[3-(3-bromanyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(2-methoxyethyl) 4-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-methoxyethyl) ester IUPAC Name: bis(2-methoxyethyl) 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(3-bromo-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-methoxyethyl) ester Formula: C31H34BrN3O7 MolecularWeight: 640.52156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CN(N=C2C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CN(N=C2C3=CC(=C(C=C3)OC)Br)C4=CC=CC=C4)C(=O)OCCOC

InChI

InChI=1S/C31H34BrN3O7/c1-19-26(30(36)41-15-13-38-3)28(27(20(2)33-19)31(37)42-16-14-39-4)23-18-35(22-9-7-6-8-10-22)34-29(23)21-11-12-25(40-5)24(32)17-21/h6-12,17-18,28,33H,13-16H2,1-5H3