ethyl 4-[[5-chloranyl-2-methyl-4-oxidanylidene-6-(phenylmethyl)pyran-3-yl]carbonylamino]-3,5-diethyl-benzoate

Systemtic Name: ethyl 4-[[5-chloranyl-2-methyl-4-oxidanylidene-6-(phenylmethyl)pyran-3-yl]carbonylamino]-3,5-diethyl-benzoate Openeye Name: ethyl 4-[(6-benzyl-5-chloro-2-methyl-4-oxo-pyran-3-carbonyl)amino]-3,5-diethyl-benzoate CAS Name: 4-[[[5-chloro-2-methyl-4-oxo-6-(phenylmethyl)-3-pyranyl]-oxomethyl]amino]-3,5-diethylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-benzyl-5-chloro-2-methyl-4-oxopyran-3-carbonyl)amino]-3,5-diethylbenzoate Traditional Name: 4-[(6-benzyl-5-chloro-4-keto-2-methyl-pyran-3-carbonyl)amino]-3,5-diethyl-benzoic acid ethyl ester Formula: C27H28ClNO5 MolecularWeight: 481.96792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C(OC(=C(C2=O)Cl)CC3=CC=CC=C3)C)CC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C(OC(=C(C2=O)Cl)CC3=CC=CC=C3)C)CC)C(=O)OCC

InChI

InChI=1S/C27H28ClNO5/c1-5-18-14-20(27(32)33-7-3)15-19(6-2)24(18)29-26(31)22-16(4)34-21(23(28)25(22)30)13-17-11-9-8-10-12-17/h8-12,14-15H,5-7,13H2,1-4H3,(H,29,31)