methyl 4-[[4-(2,2-diphenylethanoyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2,2-diphenylethanoyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-(1-oxo-2,2-diphenylethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-33-28(32)25-15-13-22(14-16-25)21-29-17-8-18-30(20-19-29)27(31)26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-16,26H,8,17-21H2,1H3