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

Systemtic Name: 2-[5-aminocarbonyl-9-[(3-chloranyl-4-methoxy-phenyl)methyl]carbazol-4-yl]oxy-3-oxidanyl-propanoic acid Openeye Name: 2-[5-carbamoyl-9-[(3-chloro-4-methoxy-phenyl)methyl]carbazol-4-yl]oxy-3-hydroxy-propanoic acid CAS Name: 2-[[5-carbamoyl-9-[(3-chloro-4-methoxyphenyl)methyl]-4-carbazolyl]oxy]-3-hydroxypropanoic acid IUPAC Name: 2-[5-carbamoyl-9-[(3-chloro-4-methoxyphenyl)methyl]carbazol-4-yl]oxy-3-hydroxypropanoic acid Traditional Name: 2-[5-carbamoyl-9-(3-chloro-4-methoxy-benzyl)carbazol-4-yl]oxy-3-hydroxy-propionic acid Formula: C24H21ClN2O6 MolecularWeight: 468.88634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C24H21ClN2O6/c1-32-18-9-8-13(10-15(18)25)11-27-16-5-2-4-14(23(26)29)21(16)22-17(27)6-3-7-19(22)33-20(12-28)24(30)31/h2-10,20,28H,11-12H2,1H3,(H2,26,29)(H,30,31)