methyl 4-(2-methylpropylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(2-methylpropylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 4-(isobutylcarbamoyl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 4-[(2-methylpropylamino)-oxomethyl]-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-methylpropylcarbamoyl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 4-(isobutylcarbamoyl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4/c1-17(2)16-28-26(31)22-11-12-23(27(32)33-4)24(15-22)29-25(30)13-18(3)20-10-9-19-7-5-6-8-21(19)14-20/h5-15,17H,16H2,1-4H3,(H,28,31)(H,29,30)/b18-13+