2-azanyl-N-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-3-phenylmethoxy-propanamide

Systemtic Name: 2-azanyl-N-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-3-phenylmethoxy-propanamide Openeye Name: 2-amino-3-benzyloxy-N-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenyl]propanamide CAS Name: 2-amino-N-[4-[6-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-3-phenylmethoxypropanamide IUPAC Name: 2-amino-N-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-3-phenylmethoxypropanamide Traditional Name: 2-amino-3-benzoxy-N-[4-[6-hydroxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenyl]propionamide Formula: C37H39N3O4S MolecularWeight: 621.78826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)C(COCC5=CC=CC=C5)N)CN6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)C(COCC5=CC=CC=C5)N)CN6CCCC6

InChI

InChI=1S/C37H39N3O4S/c1-43-34-20-26(9-10-28(34)22-40-17-5-6-18-40)19-32-31-16-15-30(41)21-35(31)45-36(32)27-11-13-29(14-12-27)39-37(42)33(38)24-44-23-25-7-3-2-4-8-25/h2-4,7-16,20-21,33,41H,5-6,17-19,22-24,38H2,1H3,(H,39,42)