ethyl 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-(pyridin-3-ylcarbamoylamino)benzoate

Systemtic Name: ethyl 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-(pyridin-3-ylcarbamoylamino)benzoate Openeye Name: ethyl 2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]-5-(3-pyridylcarbamoylamino)benzoate CAS Name: 2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-5-[[oxo-(3-pyridinylamino)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]-5-(pyridin-3-ylcarbamoylamino)benzoate Traditional Name: 2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]-5-(3-pyridylcarbamoylamino)benzoic acid ethyl ester Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CN=CC=C2)NC(=O)C=C(C)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CN=CC=C2)NC(=O)/C=C(\C)/C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H26N4O4/c1-3-37-28(35)25-17-23(31-29(36)32-24-9-6-14-30-18-24)12-13-26(25)33-27(34)15-19(2)21-11-10-20-7-4-5-8-22(20)16-21/h4-18H,3H2,1-2H3,(H,33,34)(H2,31,32,36)/b19-15+