[1-ethoxy-2-methyl-4-(4-octylphenyl)-1-oxidanylidene-butan-2-yl]carbamoyl benzoate

Systemtic Name: [1-ethoxy-2-methyl-4-(4-octylphenyl)-1-oxidanylidene-butan-2-yl]carbamoyl benzoate Openeye Name: [1-ethoxycarbonyl-1-methyl-3-(4-octylphenyl)propyl]carbamoyl benzoate CAS Name: benzoic acid [[[1-ethoxy-2-methyl-4-(4-octylphenyl)-1-oxobutan-2-yl]amino]-oxomethyl] ester IUPAC Name: [1-ethoxy-2-methyl-4-(4-octylphenyl)-1-oxobutan-2-yl]carbamoyl benzoate Traditional Name: benzoic acid [1-carbethoxy-1-methyl-3-(4-octylphenyl)propyl]carbamoyl ester Formula: C29H39NO5 MolecularWeight: 481.62366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(C)(C(=O)OCC)NC(=O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(C)(C(=O)OCC)NC(=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C29H39NO5/c1-4-6-7-8-9-11-14-23-17-19-24(20-18-23)21-22-29(3,27(32)34-5-2)30-28(33)35-26(31)25-15-12-10-13-16-25/h10,12-13,15-20H,4-9,11,14,21-22H2,1-3H3,(H,30,33)