1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylindole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid Formula: C23H16ClNO4 MolecularWeight: 405.83044

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H16ClNO4/c24-17-11-20-19(28-13-29-20)10-15(17)12-25-18-9-5-4-8-16(18)21(22(25)23(26)27)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,26,27)