4-[2-(5-bromanyl-2-methoxy-phenyl)ethyl-propan-2-yl-amino]butanamide; ethanedioic acid

Systemtic Name: 4-[2-(5-bromanyl-2-methoxy-phenyl)ethyl-propan-2-yl-amino]butanamide; ethanedioic acid Openeye Name: 4-[2-(5-bromo-2-methoxy-phenyl)ethyl-isopropyl-amino]butanamide; oxalic acid CAS Name: 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide; oxalic acid IUPAC Name: 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide; oxalic acid Traditional Name: 4-[2-(5-bromo-2-methoxy-phenyl)ethyl-isopropyl-amino]butyramide; oxalic acid Formula: C18H27BrN2O6 MolecularWeight: 447.32078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCC(=O)N)CCC1=C(C=CC(=C1)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)N(CCCC(=O)N)CCC1=C(C=CC(=C1)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25BrN2O2.C2H2O4/c1-12(2)19(9-4-5-16(18)20)10-8-13-11-14(17)6-7-15(13)21-3;3-1(4)2(5)6/h6-7,11-12H,4-5,8-10H2,1-3H3,(H2,18,20);(H,3,4)(H,5,6)