methyl 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(3-oxidanylprop-1-ynyl)benzoate

Systemtic Name: methyl 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(3-oxidanylprop-1-ynyl)benzoate Openeye Name: methyl 4-(3-hydroxyprop-1-ynyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 4-(3-hydroxyprop-1-ynyl)-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-hydroxyprop-1-ynyl)-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 4-(3-hydroxyprop-1-ynyl)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C#CCO)C(=O)OC)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C/C(=C/C(=O)NC1=C(C=CC(=C1)C#CCO)C(=O)OC)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H21NO4/c1-17(20-11-10-19-7-3-4-8-21(19)16-20)14-24(28)26-23-15-18(6-5-13-27)9-12-22(23)25(29)30-2/h3-4,7-12,14-16,27H,13H2,1-2H3,(H,26,28)/b17-14-