butyl 4-[2-[3-[[(E)-2-benzamido-3-naphthalen-1-yl-prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[[(E)-2-benzamido-3-naphthalen-1-yl-prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(E)-2-benzamido-3-(1-naphthyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(E)-2-benzamido-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(E)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(E)-2-benzamido-3-(1-naphthyl)acryloyl]amino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C41H39N3O5S MolecularWeight: 685.83046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C(=CC3=CC=CC4=CC=CC=C43)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)/C(=C\C3=CC=CC4=CC=CC=C43)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C41H39N3O5S/c1-3-5-25-49-41(48)30-21-23-32(24-22-30)42-40(47)37(4-2)50-34-19-12-18-33(27-34)43-39(46)36(44-38(45)29-14-7-6-8-15-29)26-31-17-11-16-28-13-9-10-20-35(28)31/h6-24,26-27,37H,3-5,25H2,1-2H3,(H,42,47)(H,43,46)(H,44,45)/b36-26+