ethyl 3-[2-oxidanyl-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propoxy]benzoate

Systemtic Name: ethyl 3-[2-oxidanyl-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propoxy]benzoate Openeye Name: ethyl 3-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[2-hydroxy-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[3-(4-benzyl-1,4-diazepan-1-yl)-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OCC(CN2CCCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H32N2O4/c1-2-29-24(28)21-10-6-11-23(16-21)30-19-22(27)18-26-13-7-12-25(14-15-26)17-20-8-4-3-5-9-20/h3-6,8-11,16,22,27H,2,7,12-15,17-19H2,1H3