ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)indole-2-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-piperonyl-indole-2-carboxylic acid ethyl ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H23NO5/c1-3-30-26(28)25-24(18-9-11-19(29-2)12-10-18)20-6-4-5-7-21(20)27(25)15-17-8-13-22-23(14-17)32-16-31-22/h4-14H,3,15-16H2,1-2H3