phenyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-7-chloranyl-2-oxidanylidene-chromen-4-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]propanoate

Systemtic Name: phenyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-7-chloranyl-2-oxidanylidene-chromen-4-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]propanoate Openeye Name: phenyl 3-[3-(2-amino-2-oxo-ethyl)-7-chloro-2-oxo-chromen-4-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]propanoate CAS Name: 3-[3-(2-amino-2-oxoethyl)-7-chloro-2-oxo-1-benzopyran-4-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]propanoic acid phenyl ester IUPAC Name: phenyl 3-[3-(2-amino-2-oxoethyl)-7-chloro-2-oxochromen-4-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-7-chloro-2-keto-chromen-4-yl]-2-[2-methyl-6-(trifluoromethyl)phenyl]propionic acid phenyl ester Formula: C28H21ClF3NO5 MolecularWeight: 543.91825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(F)(F)F)C(CC2=C(C(=O)OC3=C2C=CC(=C3)Cl)CC(=O)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(F)(F)F)C(CC2=C(C(=O)OC3=C2C=CC(=C3)Cl)CC(=O)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H21ClF3NO5/c1-15-6-5-9-22(28(30,31)32)25(15)21(27(36)37-17-7-3-2-4-8-17)13-19-18-11-10-16(29)12-23(18)38-26(35)20(19)14-24(33)34/h2-12,21H,13-14H2,1H3,(H2,33,34)