[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (1-benzyl-4-methyl-1,4-diazepan-6-yl) 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl] ester IUPAC Name: (1-benzyl-4-methyl-1,4-diazepan-6-yl) 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (1-benzyl-4-methyl-1,4-diazepan-6-yl) ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)OC(=O)C2=CC(=C(C=C2OC)N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC(C1)OC(=O)C2=CC(=C(C=C2OC)N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O3/c1-24-8-9-25(12-15-6-4-3-5-7-15)14-16(13-24)28-21(26)17-10-18(22)19(23)11-20(17)27-2/h3-7,10-11,16H,8-9,12-14,23H2,1-2H3