methyl 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzoate

Systemtic Name: methyl 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzoate Openeye Name: methyl 4-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]benzoate CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzoate Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]benzoic acid methyl ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O3/c1-17-4-6-18(7-5-17)16-23-12-3-13-24(15-14-23)21(25)19-8-10-20(11-9-19)22(26)27-2/h4-11H,3,12-16H2,1-2H3