[(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-pentoxybenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-pentoxybenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [(1R)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(N(N=C2C)C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C

InChI

InChI=1S/C21H29N3O4/c1-6-7-8-13-27-18-11-9-17(10-12-18)21(26)28-16(4)20(25)22-19-14(2)23-24(5)15(19)3/h9-12,16H,6-8,13H2,1-5H3,(H,22,25)/t16-/m1/s1