4-[6-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol

Systemtic Name: 4-[6-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol Openeye Name: 4-[6-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenol CAS Name: 4-[6-methyl-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenol IUPAC Name: 4-[6-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenol Traditional Name: 4-[6-methyl-3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenol Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C28H29NO2S/c1-20-4-13-25-26(28(32-27(25)18-20)22-7-9-23(30)10-8-22)19-21-5-11-24(12-6-21)31-17-16-29-14-2-3-15-29/h4-13,18,30H,2-3,14-17,19H2,1H3