methyl 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(prop-2-ynylcarbamoyl)benzoate

Systemtic Name: methyl 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(prop-2-ynylcarbamoyl)benzoate Openeye Name: methyl 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(prop-2-ynylcarbamoyl)benzoate CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[oxo-(prop-2-ynylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(prop-2-ynylcarbamoyl)benzoate Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(propargylcarbamoyl)benzoic acid methyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O4/c1-4-13-27-25(30)21-11-12-22(26(31)32-3)23(16-21)28-24(29)14-17(2)19-10-9-18-7-5-6-8-20(18)15-19/h1,5-12,14-16H,13H2,2-3H3,(H,27,30)(H,28,29)/b17-14-