ethyl 1-[(6-chloranyl-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]indole-2-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]indole-2-carboxylate Openeye Name: ethyl 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]indole-2-carboxylate CAS Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]indole-2-carboxylate Traditional Name: 1-[(6-chloro-3H-1,2-benzodioxol-5-yl)methyl]-5-(4-cyanobenzyl)oxy-indole-2-carboxylic acid ethyl ester Formula: C27H21ClN2O5 MolecularWeight: 488.91904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=C(C=C4C(=C3)COO4)Cl)C=CC(=C2)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=C(C=C4C(=C3)COO4)Cl)C=CC(=C2)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H21ClN2O5/c1-2-32-27(31)25-11-19-10-22(33-15-18-5-3-17(13-29)4-6-18)7-8-24(19)30(25)14-20-9-21-16-34-35-26(21)12-23(20)28/h3-12H,2,14-16H2,1H3