ethyl 4-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: ethyl 4-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: ethyl 4-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-4,5-dihydroisoxazole-5-carboxylate CAS Name: 4-[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-4,5-dihydroisoxazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 4-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-isoxazoline-5-carboxylic acid ethyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C=NO1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(C=NO1)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-2-30-25(29)23-22(17-26-31-23)20-8-10-21(11-9-20)24(28)27-14-12-19(13-15-27)16-18-6-4-3-5-7-18/h3-11,17,19,22-23H,2,12-16H2,1H3