4-[2-(5-bromanyl-2-methoxy-phenyl)ethyl-propyl-amino]butanamide; carbonic acid; cyclohexane; ethanedioic acid

Systemtic Name: 4-[2-(5-bromanyl-2-methoxy-phenyl)ethyl-propyl-amino]butanamide; carbonic acid; cyclohexane; ethanedioic acid Openeye Name: 4-[2-(5-bromo-2-methoxy-phenyl)ethyl-propyl-amino]butanamide; carbonic acid; cyclohexane; oxalic acid CAS Name: 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propylamino]butanamide; carbonic acid; cyclohexane; oxalic acid IUPAC Name: 4-[2-(5-bromo-2-methoxyphenyl)ethyl-propylamino]butanamide; carbonic acid; cyclohexane; oxalic acid Traditional Name: 4-[2-(5-bromo-2-methoxy-phenyl)ethyl-propyl-amino]butyramide; carbonic acid; cyclohexane; oxalic acid Formula: C25H41BrN2O9 MolecularWeight: 593.50504

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(=O)N)CCC1=C(C=CC(=C1)Br)OC.C1CCCCC1.C(=O)(C(=O)O)O.C(=O)(O)O

Isomeric SMILES

CCCN(CCCC(=O)N)CCC1=C(C=CC(=C1)Br)OC.C1CCCCC1.C(=O)(C(=O)O)O.C(=O)(O)O

InChI

InChI=1S/C16H25BrN2O2.C6H12.C2H2O4.CH2O3/c1-3-9-19(10-4-5-16(18)20)11-8-13-12-14(17)6-7-15(13)21-2;1-2-4-6-5-3-1;3-1(4)2(5)6;2-1(3)4/h6-7,12H,3-5,8-11H2,1-2H3,(H2,18,20);1-6H2;(H,3,4)(H,5,6);(H2,2,3,4)