1-[2-(2,3,4-trimethoxy-5-phenethyl-cyclohexa-1,3-dien-1-yl)ethyl]indole

Systemtic Name: 1-[2-(2,3,4-trimethoxy-5-phenethyl-cyclohexa-1,3-dien-1-yl)ethyl]indole Openeye Name: 1-[2-(2,3,4-trimethoxy-5-phenethyl-cyclohexa-1,3-dien-1-yl)ethyl]indole CAS Name: 1-[2-(2,3,4-trimethoxy-5-phenethyl-1-cyclohexa-1,3-dienyl)ethyl]indole IUPAC Name: 1-[2-(2,3,4-trimethoxy-5-phenethylcyclohexa-1,3-dien-1-yl)ethyl]indole Traditional Name: 1-[2-(2,3,4-trimethoxy-5-phenethyl-cyclohexa-1,3-dien-1-yl)ethyl]indole Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(CC1CCC2=CC=CC=C2)CCN3C=CC4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=C(C(=C(CC1CCC2=CC=CC=C2)CCN3C=CC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C27H31NO3/c1-29-25-22(14-13-20-9-5-4-6-10-20)19-23(26(30-2)27(25)31-3)16-18-28-17-15-21-11-7-8-12-24(21)28/h4-12,15,17,22H,13-14,16,18-19H2,1-3H3