ethyl 5-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-isopropyl-5-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-1-propyl-pyrazole-4-carboxylate CAS Name: 5-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-3-propan-2-yl-1-propylpyrazole-4-carboxylate Traditional Name: 5-[4-(2-carbomethoxyphenyl)benzyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C(C)C)C(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCN1C(=C(C(=N1)C(C)C)C(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C27H32N2O4/c1-6-16-29-23(24(27(31)33-7-2)25(28-29)18(3)4)17-19-12-14-20(15-13-19)21-10-8-9-11-22(21)26(30)32-5/h8-15,18H,6-7,16-17H2,1-5H3