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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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