methyl 4-[[4-[(2-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(2-methylphenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(o-tolylmethyl)-5-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(2-methylphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(2-methylphenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[5-keto-4-(2-methylbenzyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O3/c1-17-5-3-4-6-20(17)16-24-14-13-23(12-11-21(24)25)15-18-7-9-19(10-8-18)22(26)27-2/h3-10H,11-16H2,1-2H3