methyl 5-[(4-bromophenyl)methylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[(4-bromophenyl)methylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(4-bromophenyl)methylamino]-2-morpholino-benzoate CAS Name: 5-[(4-bromophenyl)methylamino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(4-bromophenyl)methylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(4-bromobenzyl)amino]-2-morpholino-benzoic acid methyl ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)Br)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(C=C2)Br)N3CCOCC3

InChI

InChI=1S/C19H21BrN2O3/c1-24-19(23)17-12-16(21-13-14-2-4-15(20)5-3-14)6-7-18(17)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3