1-phenylbutyl 5-methyl-4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenyl-5H-1,2-oxazole-4-carboxylate

Systemtic Name: 1-phenylbutyl 5-methyl-4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenyl-5H-1,2-oxazole-4-carboxylate Openeye Name: 1-phenylbutyl 5-methyl-4-[4-[3-(2-methylpropanoylamino)phenyl]-1-piperidyl]-3-phenyl-5H-isoxazole-4-carboxylate CAS Name: 5-methyl-4-[4-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-1-piperidinyl]-3-phenyl-5H-isoxazole-4-carboxylic acid 1-phenylbutyl ester IUPAC Name: 1-phenylbutyl 5-methyl-4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-3-phenyl-5H-1,2-oxazole-4-carboxylate Traditional Name: 4-[4-[3-(isobutyrylamino)phenyl]piperidino]-5-methyl-3-phenyl-2-isoxazoline-4-carboxylic acid 1-phenylbutyl ester Formula: C36H43N3O4 MolecularWeight: 581.74432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)OC(=O)C2(C(ON=C2C3=CC=CC=C3)C)N4CCC(CC4)C5=CC(=CC=C5)NC(=O)C(C)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)OC(=O)C2(C(ON=C2C3=CC=CC=C3)C)N4CCC(CC4)C5=CC(=CC=C5)NC(=O)C(C)C

InChI

InChI=1S/C36H43N3O4/c1-5-13-32(28-14-8-6-9-15-28)42-35(41)36(26(4)43-38-33(36)29-16-10-7-11-17-29)39-22-20-27(21-23-39)30-18-12-19-31(24-30)37-34(40)25(2)3/h6-12,14-19,24-27,32H,5,13,20-23H2,1-4H3,(H,37,40)