[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-pentoxybenzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=NN2C(C)C

InChI

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