methyl 2-[[6-(chloromethyl)-2-oxidanylidene-chromen-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[6-(chloromethyl)-2-oxidanylidene-chromen-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[6-(chloromethyl)-2-oxo-chromene-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[6-(chloromethyl)-2-oxo-1-benzopyran-3-yl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[6-(chloromethyl)-2-oxochromene-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[6-(chloromethyl)-2-keto-chromene-3-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O

InChI

InChI=1S/C21H18ClNO5/c1-27-21(26)17(10-13-5-3-2-4-6-13)23-19(24)16-11-15-9-14(12-22)7-8-18(15)28-20(16)25/h2-9,11,17H,10,12H2,1H3,(H,23,24)