ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxy-indole-2-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxy-indole-2-carboxylate Openeye Name: ethyl 5-benzyloxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenylmethoxyindole-2-carboxylate Traditional Name: 5-benzoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid ethyl ester Formula: C26H22ClNO5 MolecularWeight: 463.90958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)OCC5=CC=CC=C5

InChI

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