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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propan-2-yloxy-indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-isopropoxy-3-phenyl-indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propan-2-yloxy-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-propan-2-yloxyindole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-isopropoxy-3-phenyl-indole-2-carboxylic acid Formula: C26H22ClNO5 MolecularWeight: 463.90958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C26H22ClNO5/c1-15(2)33-18-8-9-21-19(11-18)24(16-6-4-3-5-7-16)25(26(29)30)28(21)13-17-10-22-23(12-20(17)27)32-14-31-22/h3-12,15H,13-14H2,1-2H3,(H,29,30)