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

Systemtic Name: ethyl 5-methyl-1-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(3-isopropoxypropylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-(3-propan-2-yloxypropylamino)methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(3-propan-2-yloxypropylcarbamoyl)phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-(3-isopropoxypropylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCOC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCOC(C)C)C

InChI

InChI=1S/C20H27N3O4/c1-5-26-20(25)18-13-22-23(15(18)4)17-9-7-16(8-10-17)19(24)21-11-6-12-27-14(2)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,24)