4-(1-methoxypropan-2-ylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 4-(1-methoxypropan-2-ylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 4-[(2-methoxy-1-methyl-ethyl)carbamoyl]-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 4-[(1-methoxypropan-2-ylamino)-oxomethyl]-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 4-(1-methoxypropan-2-ylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 4-[(2-methoxy-1-methyl-ethyl)carbamoyl]-2-[[(E)-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(COC)NC(=O)C1=CC(=C(C=C1)C(=O)O)NC(=O)C=C(C)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(COC)NC(=O)C1=CC(=C(C=C1)C(=O)O)NC(=O)/C=C(\C)/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H26N2O5/c1-16(19-9-8-18-6-4-5-7-20(18)13-19)12-24(29)28-23-14-21(10-11-22(23)26(31)32)25(30)27-17(2)15-33-3/h4-14,17H,15H2,1-3H3,(H,27,30)(H,28,29)(H,31,32)/b16-12+