methyl 3-[(E)-6-(4-chloranyl-2-pyrrol-1-yl-phenyl)hex-5-enyl]-5-(2-methoxy-2-oxidanylidene-ethyl)-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl 3-[(E)-6-(4-chloranyl-2-pyrrol-1-yl-phenyl)hex-5-enyl]-5-(2-methoxy-2-oxidanylidene-ethyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl 3-[(E)-6-(4-chloro-2-pyrrol-1-yl-phenyl)hex-5-enyl]-5-(2-methoxy-2-oxo-ethyl)-4H-isoxazole-5-carboxylate CAS Name: 3-[(E)-6-[4-chloro-2-(1-pyrrolyl)phenyl]hex-5-enyl]-5-(2-methoxy-2-oxoethyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-6-(4-chloro-2-pyrrol-1-ylphenyl)hex-5-enyl]-5-(2-methoxy-2-oxoethyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: 3-[(E)-6-(4-chloro-2-pyrrol-1-yl-phenyl)hex-5-enyl]-5-(2-keto-2-methoxy-ethyl)-2-isoxazoline-5-carboxylic acid methyl ester Formula: C24H27ClN2O5 MolecularWeight: 458.93458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)CCCCC=CC2=C(C=C(C=C2)Cl)N3C=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)CC1(CC(=NO1)CCCC/C=C/C2=C(C=C(C=C2)Cl)N3C=CC=C3)C(=O)OC

InChI

InChI=1S/C24H27ClN2O5/c1-30-22(28)17-24(23(29)31-2)16-20(26-32-24)10-6-4-3-5-9-18-11-12-19(25)15-21(18)27-13-7-8-14-27/h5,7-9,11-15H,3-4,6,10,16-17H2,1-2H3/b9-5+