4-azanyl-3-(7-chloranyl-2H-chromen-4-yl)-3-(2-methylphenyl)-2,5-bis(oxidanylidene)-4-[2-(trifluoromethyl)phenyl]pentanoic acid

Systemtic Name: 4-azanyl-3-(7-chloranyl-2H-chromen-4-yl)-3-(2-methylphenyl)-2,5-bis(oxidanylidene)-4-[2-(trifluoromethyl)phenyl]pentanoic acid Openeye Name: 4-amino-3-(7-chloro-2H-chromen-4-yl)-3-(o-tolyl)-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]pentanoic acid CAS Name: 4-amino-3-(7-chloro-2H-1-benzopyran-4-yl)-3-(2-methylphenyl)-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]pentanoic acid IUPAC Name: 4-amino-3-(7-chloro-2H-chromen-4-yl)-3-(2-methylphenyl)-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]pentanoic acid Traditional Name: 4-amino-3-(7-chloro-2H-chromen-4-yl)-2,5-diketo-3-(o-tolyl)-4-[2-(trifluoromethyl)phenyl]valeric acid Formula: C28H21ClF3NO5 MolecularWeight: 543.91825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CCOC3=C2C=CC(=C3)Cl)(C(=O)C(=O)O)C(C=O)(C4=CC=CC=C4C(F)(F)F)N

Isomeric SMILES

CC1=CC=CC=C1C(C2=CCOC3=C2C=CC(=C3)Cl)(C(=O)C(=O)O)C(C=O)(C4=CC=CC=C4C(F)(F)F)N

InChI

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