butyl 3-(4-heptoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: butyl 3-(4-heptoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: butyl 3-(4-heptoxyphenyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-(4-heptoxyphenyl)-4,5-dihydroisoxazole-5-carboxylic acid butyl ester IUPAC Name: butyl 3-(4-heptoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-(4-heptoxyphenyl)-2-isoxazoline-5-carboxylic acid butyl ester Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NOC(C2)C(=O)OCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NOC(C2)C(=O)OCCCC

InChI

InChI=1S/C21H31NO4/c1-3-5-7-8-9-15-24-18-12-10-17(11-13-18)19-16-20(26-22-19)21(23)25-14-6-4-2/h10-13,20H,3-9,14-16H2,1-2H3