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

Systemtic Name: 2-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-phenylmethoxy-1-benzothiophen-2-yl]phenyl]ethanamine Openeye Name: 2-[4-[6-benzyloxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenyl]ethanamine CAS Name: 2-[4-[3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-6-phenylmethoxy-1-benzothiophen-2-yl]phenyl]ethanamine IUPAC Name: 2-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-phenylmethoxy-1-benzothiophen-2-yl]phenyl]ethanamine Traditional Name: 2-[4-[6-benzoxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenyl]ethylamine Formula: C36H38N2O2S MolecularWeight: 562.76412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)CCN)CN6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)CCN)CN6CCCC6

InChI

InChI=1S/C36H38N2O2S/c1-39-34-22-28(11-14-30(34)24-38-19-5-6-20-38)21-33-32-16-15-31(40-25-27-7-3-2-4-8-27)23-35(32)41-36(33)29-12-9-26(10-13-29)17-18-37/h2-4,7-16,22-23H,5-6,17-21,24-25,37H2,1H3