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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 5-benzyl-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-5-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 5-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenylindole-2-carboxylic acid Traditional Name: 5-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid Formula: C30H22ClNO4 MolecularWeight: 495.95298

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=C(C=C(C=C4)CC5=CC=CC=C5)C(=C3C(=O)O)C6=CC=CC=C6)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=C(C=C(C=C4)CC5=CC=CC=C5)C(=C3C(=O)O)C6=CC=CC=C6)Cl

InChI

InChI=1S/C30H22ClNO4/c31-24-16-27-26(35-18-36-27)15-22(24)17-32-25-12-11-20(13-19-7-3-1-4-8-19)14-23(25)28(29(32)30(33)34)21-9-5-2-6-10-21/h1-12,14-16H,13,17-18H2,(H,33,34)