N-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-(4-ethoxy-3-methoxy-phenyl)-2-(1H-indol-3-yl)ethyl]-piperonylamide Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54)OC

InChI

InChI=1S/C27H26N2O5/c1-3-32-23-10-8-17(12-25(23)31-2)20(21-15-28-22-7-5-4-6-19(21)22)14-29-27(30)18-9-11-24-26(13-18)34-16-33-24/h4-13,15,20,28H,3,14,16H2,1-2H3,(H,29,30)/t20-/m0/s1