ethyl 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-p-anisyl-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=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5

InChI

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