ethyl 1-[4-[3-(cyclopropylmethoxy)propylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[3-(cyclopropylmethoxy)propylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[3-(cyclopropylmethoxy)propylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[3-(cyclopropylmethoxy)propylamino]-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[3-(cyclopropylmethoxy)propylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[3-(cyclopropylmethoxy)propylcarbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCOCC3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCCCOCC3CC3)C

InChI

InChI=1S/C21H27N3O4/c1-3-28-21(26)19-13-23-24(15(19)2)18-9-7-17(8-10-18)20(25)22-11-4-12-27-14-16-5-6-16/h7-10,13,16H,3-6,11-12,14H2,1-2H3,(H,22,25)