methyl 4-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propoxy]benzoic acid methyl ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

InChI

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