3-methoxy-N,2-dimethyl-1-(methylamino)-5-phenylmethoxy-6-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyl]-4-piperidin-1-yl-quinoline-4-carboxamide

Systemtic Name: 3-methoxy-N,2-dimethyl-1-(methylamino)-5-phenylmethoxy-6-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoyl]-4-piperidin-1-yl-quinoline-4-carboxamide Openeye Name: 5-benzyloxy-3-methoxy-N,2-dimethyl-1-(methylamino)-6-[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]-4-(1-piperidyl)quinoline-4-carboxamide CAS Name: 3-methoxy-N,2-dimethyl-1-(methylamino)-6-[1-oxo-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl]-5-phenylmethoxy-4-(1-piperidinyl)-4-quinolinecarboxamide IUPAC Name: 3-methoxy-N,2-dimethyl-1-(methylamino)-5-phenylmethoxy-6-[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]-4-piperidin-1-ylquinoline-4-carboxamide Traditional Name: 5-benzoxy-3-methoxy-N,2-dimethyl-1-(methylamino)-6-[2-[[(E)-3-phenylacryloyl]amino]acetyl]-4-piperidino-cinchoninamide Formula: C37H43N5O5 MolecularWeight: 637.76782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1NC)C=CC(=C2OCC3=CC=CC=C3)C(=O)CNC(=O)C=CC4=CC=CC=C4)(C(=O)NC)N5CCCCC5)OC

Isomeric SMILES

CC1=C(C(C2=C(N1NC)C=CC(=C2OCC3=CC=CC=C3)C(=O)CNC(=O)/C=C/C4=CC=CC=C4)(C(=O)NC)N5CCCCC5)OC

InChI

InChI=1S/C37H43N5O5/c1-26-35(46-4)37(36(45)38-2,41-22-12-7-13-23-41)33-30(42(26)39-3)20-19-29(34(33)47-25-28-16-10-6-11-17-28)31(43)24-40-32(44)21-18-27-14-8-5-9-15-27/h5-6,8-11,14-21,39H,7,12-13,22-25H2,1-4H3,(H,38,45)(H,40,44)/b21-18+