5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-(tert-butoxycarbonylamino)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[(Z)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(Z)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-(tert-butoxycarbonylamino)-2-[[(Z)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5/c1-16(18-10-9-17-7-5-6-8-19(17)14-18)13-23(29)28-22-12-11-20(15-21(22)24(30)31)27-25(32)33-26(2,3)4/h5-15H,1-4H3,(H,27,32)(H,28,29)(H,30,31)/b16-13-