1-[3-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]propyl]pyrrolidine

Systemtic Name: 1-[3-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]propyl]pyrrolidine Openeye Name: 1-[3-[3-[6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]phenoxy]propyl]pyrrolidine CAS Name: 1-[3-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]propyl]pyrrolidine IUPAC Name: 1-[3-[3-[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]propyl]pyrrolidine Traditional Name: 1-[3-[3-[6-methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]phenoxy]propyl]pyrrolidine Formula: C29H31NO3S MolecularWeight: 473.62634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C4=CC(=CC=C4)OCCCN5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C4=CC(=CC=C4)OCCCN5CCCC5

InChI

InChI=1S/C29H31NO3S/c1-31-23-11-9-21(10-12-23)29-28(26-14-13-24(32-2)20-27(26)34-29)22-7-5-8-25(19-22)33-18-6-17-30-15-3-4-16-30/h5,7-14,19-20H,3-4,6,15-18H2,1-2H3