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

Systemtic Name: methyl 4-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-(1-oxo-2-phenoxypropyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(2-phenoxypropanoyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C(=O)OC)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C(=O)OC)OC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4/c1-18(29-21-7-4-3-5-8-21)22(26)25-14-6-13-24(15-16-25)17-19-9-11-20(12-10-19)23(27)28-2/h3-5,7-12,18H,6,13-17H2,1-2H3