N-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)propanamide Traditional Name: 3-(4-tert-butylphenyl)-3-(1H-indol-3-yl)-N-piperonyl-propionamide Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H30N2O3/c1-29(2,3)21-11-9-20(10-12-21)23(24-17-30-25-7-5-4-6-22(24)25)15-28(32)31-16-19-8-13-26-27(14-19)34-18-33-26/h4-14,17,23,30H,15-16,18H2,1-3H3,(H,31,32)