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

Systemtic Name: 2-[5-aminocarbonyl-9-[(3-chloranyl-4-methyl-phenyl)methyl]carbazol-4-yl]oxy-3-oxidanyl-propanoic acid Openeye Name: 2-[5-carbamoyl-9-[(3-chloro-4-methyl-phenyl)methyl]carbazol-4-yl]oxy-3-hydroxy-propanoic acid CAS Name: 2-[[5-carbamoyl-9-[(3-chloro-4-methylphenyl)methyl]-4-carbazolyl]oxy]-3-hydroxypropanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(3-chloro-4-methylphenyl)methyl]carbazol-4-yl]oxy-3-hydroxypropanoic acid Traditional Name: 2-[5-carbamoyl-9-(3-chloro-4-methyl-benzyl)carbazol-4-yl]oxy-3-hydroxy-propionic acid Formula: C24H21ClN2O5 MolecularWeight: 452.88694

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H21ClN2O5/c1-13-8-9-14(10-16(13)25)11-27-17-5-2-4-15(23(26)29)21(17)22-18(27)6-3-7-19(22)32-20(12-28)24(30)31/h2-10,20,28H,11-12H2,1H3,(H2,26,29)(H,30,31)