3-[3-[5-aminocarbonyl-3-(phenylmethyl)-1H-indol-2-yl]-5-bromanyl-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-[5-aminocarbonyl-3-(phenylmethyl)-1H-indol-2-yl]-5-bromanyl-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-(3-benzyl-5-carbamoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-bromo-5-[5-carbamoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]propanoic acid IUPAC Name: 3-[3-(3-benzyl-5-carbamoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-(3-benzyl-5-carbamoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]propionic acid Formula: C25H21BrN2O4 MolecularWeight: 493.34924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=O)N)C4=CC(=CC(=C4O)Br)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=O)N)C4=CC(=CC(=C4O)Br)CCC(=O)O

InChI

InChI=1S/C25H21BrN2O4/c26-20-12-15(6-9-22(29)30)11-19(24(20)31)23-18(10-14-4-2-1-3-5-14)17-13-16(25(27)32)7-8-21(17)28-23/h1-5,7-8,11-13,28,31H,6,9-10H2,(H2,27,32)(H,29,30)