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

Systemtic Name: 4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]phenol Openeye Name: 4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-benzothiophen-2-yl]phenol CAS Name: 4-[3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]phenol IUPAC Name: 4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methyl-1-benzothiophen-2-yl]phenol Traditional Name: 4-[3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]-6-methyl-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)CN5CCCC5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)O)CC4=CC(=C(C=C4)CN5CCCC5)OC

InChI

InChI=1S/C28H29NO2S/c1-19-5-12-24-25(28(32-27(24)15-19)21-8-10-23(30)11-9-21)16-20-6-7-22(26(17-20)31-2)18-29-13-3-4-14-29/h5-12,15,17,30H,3-4,13-14,16,18H2,1-2H3