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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[methyl-(phenylmethyl)carbamoyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[benzyl(methyl)carbamoyl]benzoate CAS Name: 2-[[methyl-(phenylmethyl)amino]-oxomethyl]benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[benzyl(methyl)carbamoyl]benzoate Traditional Name: 2-[benzyl(methyl)carbamoyl]benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C24H28N2O4/c1-25(17-19-11-5-4-6-12-19)23(28)20-13-7-8-14-21(20)24(29)30-18-22(27)26-15-9-2-3-10-16-26/h4-8,11-14H,2-3,9-10,15-18H2,1H3