methyl 5-bromanyl-2-[3-(3-methylphenoxy)propylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[3-(3-methylphenoxy)propylamino]benzoate Openeye Name: methyl 5-bromo-2-[3-(3-methylphenoxy)propylamino]benzoate CAS Name: 5-bromo-2-[3-(3-methylphenoxy)propylamino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[3-(3-methylphenoxy)propylamino]benzoate Traditional Name: 5-bromo-2-[3-(3-methylphenoxy)propylamino]benzoic acid methyl ester Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C18H20BrNO3/c1-13-5-3-6-15(11-13)23-10-4-9-20-17-8-7-14(19)12-16(17)18(21)22-2/h3,5-8,11-12,20H,4,9-10H2,1-2H3