3-[4-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)butyl]-1H-indole

Systemtic Name: 3-[4-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)butyl]-1H-indole Openeye Name: 3-[4-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)butyl]-1H-indole CAS Name: 3-[4-(2,3,4-trimethoxy-1-cyclohexa-1,3-dienyl)butyl]-1H-indole IUPAC Name: 3-[4-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)butyl]-1H-indole Traditional Name: 3-[4-(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)butyl]-1H-indole Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(CC1)CCCCC2=CNC3=CC=CC=C32)OC)OC

Isomeric SMILES

COC1=C(C(=C(CC1)CCCCC2=CNC3=CC=CC=C32)OC)OC

InChI

InChI=1S/C21H27NO3/c1-23-19-13-12-15(20(24-2)21(19)25-3)8-4-5-9-16-14-22-18-11-7-6-10-17(16)18/h6-7,10-11,14,22H,4-5,8-9,12-13H2,1-3H3