methyl 4-[[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(3-methoxyphenyl)carbonyl-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(3-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[(4-m-anisoyl-1,4-diazepan-1-yl)methyl]benzoic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O4/c1-27-20-6-3-5-19(15-20)21(25)24-12-4-11-23(13-14-24)16-17-7-9-18(10-8-17)22(26)28-2/h3,5-10,15H,4,11-14,16H2,1-2H3