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

Systemtic Name: ethyl 1-[4-(3-butoxypropylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(3-butoxypropylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(3-butoxypropylamino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-butoxypropylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-(3-butoxypropylcarbamoyl)phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C

Isomeric SMILES

CCCCOCCCNC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C

InChI

InChI=1S/C21H29N3O4/c1-4-6-13-27-14-7-12-22-20(25)17-8-10-18(11-9-17)24-16(3)19(15-23-24)21(26)28-5-2/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,25)