phenyl 3-(5-butyl-2-chloranyl-3H-pyrrol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: phenyl 3-(5-butyl-2-chloranyl-3H-pyrrol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: phenyl 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydroisoxazole-5-carboxylic acid phenyl ester IUPAC Name: phenyl 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-(5-butyl-2-chloro-3H-pyrrol-3-yl)-2-isoxazoline-5-carboxylic acid phenyl ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(C(=N1)Cl)C2=NOC(C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(C(=N1)Cl)C2=NOC(C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H19ClN2O3/c1-2-3-7-12-10-14(17(19)20-12)15-11-16(24-21-15)18(22)23-13-8-5-4-6-9-13/h4-6,8-10,14,16H,2-3,7,11H2,1H3