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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(1-phenylethoxy)indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(1-phenylethoxy)indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(1-phenylethoxy)-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(1-phenylethoxy)indole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(1-phenylethoxy)indole-2-carboxylic acid Formula: C25H20ClNO5 MolecularWeight: 449.883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CC(C1=CC=CC=C1)OC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C25H20ClNO5/c1-15(16-5-3-2-4-6-16)32-19-7-8-21-17(9-19)10-22(25(28)29)27(21)13-18-11-23-24(12-20(18)26)31-14-30-23/h2-12,15H,13-14H2,1H3,(H,28,29)