2-hydroxyethyl 4-azanyl-3-bromanyl-5-[(phenethylamino)methyl]benzoate

Systemtic Name: 2-hydroxyethyl 4-azanyl-3-bromanyl-5-[(phenethylamino)methyl]benzoate Openeye Name: 2-hydroxyethyl 4-amino-3-bromo-5-[(phenethylamino)methyl]benzoate CAS Name: 4-amino-3-bromo-5-[(phenethylamino)methyl]benzoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-amino-3-bromo-5-[(phenethylamino)methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[(phenethylamino)methyl]benzoic acid 2-hydroxyethyl ester Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=C(C(=CC(=C2)C(=O)OCCO)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=C(C(=CC(=C2)C(=O)OCCO)Br)N

InChI

InChI=1S/C18H21BrN2O3/c19-16-11-14(18(23)24-9-8-22)10-15(17(16)20)12-21-7-6-13-4-2-1-3-5-13/h1-5,10-11,21-22H,6-9,12,20H2