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

Systemtic Name: methyl 3-[1-[4-(1-adamantylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(1-adamantylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(1-adamantylmethylamino)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(1-adamantylmethylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(1-adamantylmethylcarbamoyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)C)CCC(=O)OC

InChI

InChI=1S/C27H35N3O3/c1-17-24(8-9-25(31)33-3)18(2)30(29-17)23-6-4-22(5-7-23)26(32)28-16-27-13-19-10-20(14-27)12-21(11-19)15-27/h4-7,19-21H,8-16H2,1-3H3,(H,28,32)