[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-[benzyl(methyl)carbamoyl]benzoate CAS Name: 2-[[methyl-(phenylmethyl)amino]-oxomethyl]benzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate Traditional Name: 2-[benzyl(methyl)carbamoyl]benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCCC3

InChI

InChI=1S/C25H30N2O4/c1-26(18-20-12-6-5-7-13-20)24(29)21-14-8-9-15-22(21)25(30)31-19-23(28)27-16-10-3-2-4-11-17-27/h5-9,12-15H,2-4,10-11,16-19H2,1H3