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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CCCOC1=CC2=C(C=C1)N(C(=C2C3=CC=CC=C3)C(=O)O)CC4=CC5=C(C=C4Cl)OCO5

InChI

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