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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-naphthalen-1-yl-indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(1-naphthyl)indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(1-naphthalenyl)-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-naphthalen-1-ylindole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(1-naphthyl)indole-2-carboxylic acid Formula: C27H18ClNO4 MolecularWeight: 455.88912

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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=CC6=CC=CC=C65)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=CC6=CC=CC=C65)Cl

InChI

InChI=1S/C27H18ClNO4/c28-21-13-24-23(32-15-33-24)12-17(21)14-29-22-11-4-3-9-20(22)25(26(29)27(30)31)19-10-5-7-16-6-1-2-8-18(16)19/h1-13H,14-15H2,(H,30,31)