2-[5-aminocarbonyl-9-[(3-chloranyl-4-methyl-phenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid

Systemtic Name: 2-[5-aminocarbonyl-9-[(3-chloranyl-4-methyl-phenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid Openeye Name: 2-[5-carbamoyl-9-[(3-chloro-4-methyl-phenyl)methyl]carbazol-4-yl]oxy-3-methyl-butanoic acid CAS Name: 2-[[5-carbamoyl-9-[(3-chloro-4-methylphenyl)methyl]-4-carbazolyl]oxy]-3-methylbutanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(3-chloro-4-methylphenyl)methyl]carbazol-4-yl]oxy-3-methylbutanoic acid Traditional Name: 2-[5-carbamoyl-9-(3-chloro-4-methyl-benzyl)carbazol-4-yl]oxy-3-methyl-butyric acid Formula: C26H25ClN2O4 MolecularWeight: 464.9407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C3=C(C(=CC=C3)OC(C(C)C)C(=O)O)C4=C(C=CC=C42)C(=O)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C3=C(C(=CC=C3)OC(C(C)C)C(=O)O)C4=C(C=CC=C42)C(=O)N)Cl

InChI

InChI=1S/C26H25ClN2O4/c1-14(2)24(26(31)32)33-21-9-5-8-20-23(21)22-17(25(28)30)6-4-7-19(22)29(20)13-16-11-10-15(3)18(27)12-16/h4-12,14,24H,13H2,1-3H3,(H2,28,30)(H,31,32)