methyl 3-[1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(1-adamantylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)C)CCC(=O)OC

InChI

InChI=1S/C26H33N3O3/c1-16-23(8-9-24(30)32-3)17(2)29(28-16)22-6-4-21(5-7-22)25(31)27-26-13-18-10-19(14-26)12-20(11-18)15-26/h4-7,18-20H,8-15H2,1-3H3,(H,27,31)