[3-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-propyl-amino]-2-oxidanyl-propyl] butanoate

Systemtic Name: [3-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-propyl-amino]-2-oxidanyl-propyl] butanoate Openeye Name: [3-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-propyl-amino]-2-hydroxy-propyl] butanoate CAS Name: butanoic acid [3-[(3-ethyl-5-phenoxy-1-phenyl-4-pyrazolyl)methyl-propylamino]-2-hydroxypropyl] ester IUPAC Name: [3-[(3-ethyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl-propylamino]-2-hydroxypropyl] butanoate Traditional Name: butyric acid [3-[(3-ethyl-5-phenoxy-1-phenyl-pyrazol-4-yl)methyl-propyl-amino]-2-hydroxy-propyl] ester Formula: C28H37N3O4 MolecularWeight: 479.61108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CN(CCC)CC1=C(N(N=C1CC)C2=CC=CC=C2)OC3=CC=CC=C3)O

Isomeric SMILES

CCCC(=O)OCC(CN(CCC)CC1=C(N(N=C1CC)C2=CC=CC=C2)OC3=CC=CC=C3)O

InChI

InChI=1S/C28H37N3O4/c1-4-13-27(33)34-21-23(32)19-30(18-5-2)20-25-26(6-3)29-31(22-14-9-7-10-15-22)28(25)35-24-16-11-8-12-17-24/h7-12,14-17,23,32H,4-6,13,18-21H2,1-3H3