2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(prop-2-ynylcarbamoyl)benzoic acid

Systemtic Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(prop-2-ynylcarbamoyl)benzoic acid Openeye Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(prop-2-ynylcarbamoyl)benzoic acid CAS Name: 2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]-4-[oxo-(prop-2-ynylamino)methyl]benzoic acid IUPAC Name: 2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]-4-(prop-2-ynylcarbamoyl)benzoic acid Traditional Name: 2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]-4-(propargylcarbamoyl)benzoic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4/c1-3-12-26-24(29)20-10-11-21(25(30)31)22(15-20)27-23(28)13-16(2)18-9-8-17-6-4-5-7-19(17)14-18/h1,4-11,13-15H,12H2,2H3,(H,26,29)(H,27,28)(H,30,31)/b16-13-